2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;2-cyclopropa-1,2-dien-1-ylimino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)but-3-en-1-one;N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;N-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid

C145H196N52O14 — CID 157235957

IUPAC2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;2-cyclopropa-1,2-dien-1-ylimino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)but-3-en-1-one;N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;N-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESC=C/C(=N\C1=C=C1)C(=O)c1ccc2nnc(C(C)C)n2c1.CC(=O)N1CCc2nnc(C(C)C)n2C1.CC(=O)N1CCn2c(nnc2C(C)C)C1.CC(C)c1nnc2cc(C(=O)N(C)C)ccn12.CC(C)c1nnc2cc(C(=O)O)ccn12.CC(C)c1nnc2cc(NC(=O)N(C)C)ccn12.CC(C)c1nnc2ccc(C(=O)CN)cn12.CC(C)c1nnc2ccc(C(=O)O)cn12.CC(C)c1nnc2ccc(C(N)=O)cn12.CC(C)c1nnc2n1CCCC2.CC(C)c1nnc2n1CCNC2.CC(C)c1nnc2n1CCOC2.CC(C)c1nnc2n1COCC2.CNC(=O)c1ccn2c(C(C)C)nnc2c1
InChIInChI=1S/C16H14N4O.C12H17N5O.C12H16N4O.2C11H14N4O.2C10H16N4O.C10H12N4O.2C10H11N3O2.C9H15N3.C8H14N4.2C8H13N3O/c1-4-13(17-12-6-7-12)15(21)11-5-8-14-18-19-16(10(2)3)20(14)9-11;1-8(2)11-15-14-10-7-9(5-6-17(10)11)13-12(18)16(3)4;1-8(2)11-14-13-10-7-9(5-6-16(10)11)12(17)15(3)4;1-7(2)10-14-13-9-6-8(11(16)12-3)4-5-15(9)10;1-7(2)11-14-13-10-4-3-8(6-15(10)11)9(16)5-12;1-7(2)10-12-11-9-6-13(8(3)15)4-5-14(9)10;1-7(2)10-12-11-9-4-5-13(8(3)15)6-14(9)10;1-6(2)10-13-12-8-4-3-7(9(11)15)5-14(8)10;1-6(2)9-12-11-8-5-7(10(14)15)3-4-13(8)9;1-6(2)9-12-11-8-4-3-7(10(14)15)5-13(8)9;1-7(2)9-11-10-8-5-3-4-6-12(8)9;1-6(2)8-11-10-7-5-9-3-4-12(7)8;1-6(2)8-10-9-7-5-12-4-3-11(7)8;1-6(2)8-10-9-7-3-4-12-5-11(7)8/h4-6,8-10H,1H2,2-3H3;5-8H,1-4H3,(H,13,18);5-8H,1-4H3;4-7H,1-3H3,(H,12,16);3-4,6-7H,5,12H2,1-2H3;2*7H,4-6H2,1-3H3;3-6H,1-2H3,(H2,11,15);2*3-6H,1-2H3,(H,14,15);7H,3-6H2,1-2H3;6,9H,3-5H2,1-2H3;2*6H,3-5H2,1-2H3/b17-13+;;;;;;;;;;;;;
InChIKeyAUQFPIVBVPPPGD-RLMRUCDISA-N
MW2891.51 g/mol
LogP18.11
Rot. Bonds26

About 2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;2-cyclopropa-1,2-dien-1-ylimino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)but-3-en-1-one;N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;N-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid

2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;2-cyclopropa-1,2-dien-1-ylimino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)but-3-en-1-one;N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;N-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (PubChem CID 157235957) has the molecular formula C145H196N52O14 and a molecular weight of 2891.51 g/mol. Its IUPAC name is 2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;2-cyclopropa-1,2-dien-1-ylimino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)but-3-en-1-one;N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;N-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;2-cyclopropa-1,2-dien-1-ylimino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)but-3-en-1-one;N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;N-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
PubChem CID157235957
Molecular FormulaC145H196N52O14
Molecular Weight2891.51 g/mol
Exact Mass2889.62
IUPAC Name2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;2-cyclopropa-1,2-dien-1-ylimino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)but-3-en-1-one;N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;N-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESC=C/C(=N\C1=C=C1)C(=O)c1ccc2nnc(C(C)C)n2c1.CC(=O)N1CCc2nnc(C(C)C)n2C1.CC(=O)N1CCn2c(nnc2C(C)C)C1.CC(C)c1nnc2cc(C(=O)N(C)C)ccn12.CC(C)c1nnc2cc(C(=O)O)ccn12.CC(C)c1nnc2cc(NC(=O)N(C)C)ccn12.CC(C)c1nnc2ccc(C(=O)CN)cn12.CC(C)c1nnc2ccc(C(=O)O)cn12.CC(C)c1nnc2ccc(C(N)=O)cn12.CC(C)c1nnc2n1CCCC2.CC(C)c1nnc2n1CCNC2.CC(C)c1nnc2n1CCOC2.CC(C)c1nnc2n1COCC2.CNC(=O)c1ccn2c(C(C)C)nnc2c1
InChIInChI=1S/C16H14N4O.C12H17N5O.C12H16N4O.2C11H14N4O.2C10H16N4O.C10H12N4O.2C10H11N3O2.C9H15N3.C8H14N4.2C8H13N3O/c1-4-13(17-12-6-7-12)15(21)11-5-8-14-18-19-16(10(2)3)20(14)9-11;1-8(2)11-15-14-10-7-9(5-6-17(10)11)13-12(18)16(3)4;1-8(2)11-14-13-10-7-9(5-6-16(10)11)12(17)15(3)4;1-7(2)10-14-13-9-6-8(11(16)12-3)4-5-15(9)10;1-7(2)11-14-13-10-4-3-8(6-15(10)11)9(16)5-12;1-7(2)10-12-11-9-6-13(8(3)15)4-5-14(9)10;1-7(2)10-12-11-9-4-5-13(8(3)15)6-14(9)10;1-6(2)10-13-12-8-4-3-7(9(11)15)5-14(8)10;1-6(2)9-12-11-8-5-7(10(14)15)3-4-13(8)9;1-6(2)9-12-11-8-4-3-7(10(14)15)5-13(8)9;1-7(2)9-11-10-8-5-3-4-6-12(8)9;1-6(2)8-11-10-7-5-9-3-4-12(7)8;1-6(2)8-10-9-7-5-12-4-3-11(7)8;1-6(2)8-10-9-7-3-4-12-5-11(7)8/h4-6,8-10H,1H2,2-3H3;5-8H,1-4H3,(H,13,18);5-8H,1-4H3;4-7H,1-3H3,(H,12,16);3-4,6-7H,5,12H2,1-2H3;2*7H,4-6H2,1-3H3;3-6H,1-2H3,(H2,11,15);2*3-6H,1-2H3,(H,14,15);7H,3-6H2,1-2H3;6,9H,3-5H2,1-2H3;2*6H,3-5H2,1-2H3/b17-13+;;;;;;;;;;;;;
InChIKeyAUQFPIVBVPPPGD-RLMRUCDISA-N
XLogP18.11
TPSA768.85 Ų
H-Bond Donors7
H-Bond Acceptors57
Rotatable Bonds26
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002891.51
LogP ≤ 518.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;2-cyclopropa-1,2-dien-1-ylimino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)but-3-en-1-one;N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;N-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;2-cyclopropa-1,2-dien-1-ylimino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)but-3-en-1-one;N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;N-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;2-cyclopropa-1,2-dien-1-ylimino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)but-3-en-1-one;N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;N-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (CID 157235957) is 2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;2-cyclopropa-1,2-dien-1-ylimino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)but-3-en-1-one;N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;N-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;2-cyclopropa-1,2-dien-1-ylimino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)but-3-en-1-one;N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;N-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;2-cyclopropa-1,2-dien-1-ylimino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)but-3-en-1-one;N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;N-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is C=C/C(=N\C1=C=C1)C(=O)c1ccc2nnc(C(C)C)n2c1.CC(=O)N1CCc2nnc(C(C)C)n2C1.CC(=O)N1CCn2c(nnc2C(C)C)C1.CC(C)c1nnc2cc(C(=O)N(C)C)ccn12.CC(C)c1nnc2cc(C(=O)O)ccn12.CC(C)c1nnc2cc(NC(=O)N(C)C)ccn12.CC(C)c1nnc2ccc(C(=O)CN)cn12.CC(C)c1nnc2ccc(C(=O)O)cn12.CC(C)c1nnc2ccc(C(N)=O)cn12.CC(C)c1nnc2n1CCCC2.CC(C)c1nnc2n1CCNC2.CC(C)c1nnc2n1CCOC2.CC(C)c1nnc2n1COCC2.CNC(=O)c1ccn2c(C(C)C)nnc2c1.
What is the InChIKey of 2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;2-cyclopropa-1,2-dien-1-ylimino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)but-3-en-1-one;N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;N-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The InChIKey is AUQFPIVBVPPPGD-RLMRUCDISA-N. The full InChI is InChI=1S/C16H14N4O.C12H17N5O.C12H16N4O.2C11H14N4O.2C10H16N4O.C10H12N4O.2C10H11N3O2.C9H15N3.C8H14N4.2C8H13N3O/c1-4-13(17-12-6-7-12)15(21)11-5-8-14-18-19-16(10(2)3)20(14)9-11;1-8(2)11-15-14-10-7-9(5-6-17(10)11)13-12(18)16(3)4;1-8(2)11-14-13-10-7-9(5-6-16(10)11)12(17)15(3)4;1-7(2)10-14-13-9-6-8(11(16)12-3)4-5-15(9)10;1-7(2)11-14-13-10-4-3-8(6-15(10)11)9(16)5-12;1-7(2)10-12-11-9-6-13(8(3)15)4-5-14(9)10;1-7(2)10-12-11-9-4-5-13(8(3)15)6-14(9)10;1-6(2)10-13-12-8-4-3-7(9(11)15)5-14(8)10;1-6(2)9-12-11-8-5-7(10(14)15)3-4-13(8)9;1-6(2)9-12-11-8-4-3-7(10(14)15)5-13(8)9;1-7(2)9-11-10-8-5-3-4-6-12(8)9;1-6(2)8-11-10-7-5-9-3-4-12(7)8;1-6(2)8-10-9-7-5-12-4-3-11(7)8;1-6(2)8-10-9-7-3-4-12-5-11(7)8/h4-6,8-10H,1H2,2-3H3;5-8H,1-4H3,(H,13,18);5-8H,1-4H3;4-7H,1-3H3,(H,12,16);3-4,6-7H,5,12H2,1-2H3;2*7H,4-6H2,1-3H3;3-6H,1-2H3,(H2,11,15);2*3-6H,1-2H3,(H,14,15);7H,3-6H2,1-2H3;6,9H,3-5H2,1-2H3;2*6H,3-5H2,1-2H3/b17-13+;;;;;;;;;;;;;.
What are the key properties of 2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;2-cyclopropa-1,2-dien-1-ylimino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)but-3-en-1-one;N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;N-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;2-cyclopropa-1,2-dien-1-ylimino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)but-3-en-1-one;N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;N-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid has a molecular weight of 2891.51 g/mol, XLogP of 18.11, 26 rotatable bonds, 7 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;2-cyclopropa-1,2-dien-1-ylimino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)but-3-en-1-one;N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;N-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 157235957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).