1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;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-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid

C141H212N50O14S3 — CID 159496700

IUPAC1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;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-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESCC(=O)N1CCc2nnc(C(C)C)n2C1.CC(=O)N1CCn2c(nnc2C(C)C)C1.CC(C)c1nnc2cc(C(=O)O)ccn12.CC(C)c1nnc2cc(NC(=O)N(C)C)ccn12.CC(C)c1nnc2ccc(C(=O)O)cn12.CC(C)c1nnc2n1CCCC2.CC(C)c1nnc2n1CCN(C)C2.CC(C)c1nnc2n1CCN(S(C)(=O)=O)C2.CC(C)c1nnc2n1CCNC2.CC(C)c1nnc2n1CCOC2.CC(C)c1nnc2n1CN(C)CC2.CC(C)c1nnc2n1CN(S(C)(=O)=O)CC2.CC(C)c1nnc2n1COCC2.CC(C)c1onc2ccccc12.CC(C)c1snc2ccccc12
InChIInChI=1S/C12H17N5O.2C10H16N4O.2C10H11N3O2.C10H11NO.C10H11NS.2C9H16N4O2S.2C9H16N4.C9H15N3.C8H14N4.2C8H13N3O/c1-8(2)11-15-14-10-7-9(5-6-17(10)11)13-12(18)16(3)4;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)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;2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)9-11-10-8-6-12(16(3,14)15)4-5-13(8)9;1-7(2)9-11-10-8-4-5-12(6-13(8)9)16(3,14)15;1-7(2)9-11-10-8-6-12(3)4-5-13(8)9;1-7(2)9-11-10-8-4-5-12(3)6-13(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/h5-8H,1-4H3,(H,13,18);2*7H,4-6H2,1-3H3;2*3-6H,1-2H3,(H,14,15);2*3-7H,1-2H3;2*7H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;7H,3-6H2,1-2H3;6,9H,3-5H2,1-2H3;2*6H,3-5H2,1-2H3
InChIKeyLYWIGKDEGTZEDT-UHFFFAOYSA-N
MW2927.78 g/mol
LogP19.10
Rot. Bonds20

About 1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;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-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid

1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;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-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (PubChem CID 159496700) has the molecular formula C141H212N50O14S3 and a molecular weight of 2927.78 g/mol. Its IUPAC name is 1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;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-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;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-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
PubChem CID159496700
Molecular FormulaC141H212N50O14S3
Molecular Weight2927.78 g/mol
Exact Mass2925.66
IUPAC Name1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;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-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESCC(=O)N1CCc2nnc(C(C)C)n2C1.CC(=O)N1CCn2c(nnc2C(C)C)C1.CC(C)c1nnc2cc(C(=O)O)ccn12.CC(C)c1nnc2cc(NC(=O)N(C)C)ccn12.CC(C)c1nnc2ccc(C(=O)O)cn12.CC(C)c1nnc2n1CCCC2.CC(C)c1nnc2n1CCN(C)C2.CC(C)c1nnc2n1CCN(S(C)(=O)=O)C2.CC(C)c1nnc2n1CCNC2.CC(C)c1nnc2n1CCOC2.CC(C)c1nnc2n1CN(C)CC2.CC(C)c1nnc2n1CN(S(C)(=O)=O)CC2.CC(C)c1nnc2n1COCC2.CC(C)c1onc2ccccc12.CC(C)c1snc2ccccc12
InChIInChI=1S/C12H17N5O.2C10H16N4O.2C10H11N3O2.C10H11NO.C10H11NS.2C9H16N4O2S.2C9H16N4.C9H15N3.C8H14N4.2C8H13N3O/c1-8(2)11-15-14-10-7-9(5-6-17(10)11)13-12(18)16(3)4;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)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;2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)9-11-10-8-6-12(16(3,14)15)4-5-13(8)9;1-7(2)9-11-10-8-4-5-12(6-13(8)9)16(3,14)15;1-7(2)9-11-10-8-6-12(3)4-5-13(8)9;1-7(2)9-11-10-8-4-5-12(3)6-13(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/h5-8H,1-4H3,(H,13,18);2*7H,4-6H2,1-3H3;2*3-6H,1-2H3,(H,14,15);2*3-7H,1-2H3;2*7H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;7H,3-6H2,1-2H3;6,9H,3-5H2,1-2H3;2*6H,3-5H2,1-2H3
InChIKeyLYWIGKDEGTZEDT-UHFFFAOYSA-N
XLogP19.10
TPSA695.88 Ų
H-Bond Donors4
H-Bond Acceptors57
Rotatable Bonds20
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002927.78
LogP ≤ 519.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1057

Analyze 1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;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-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 1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;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-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The IUPAC name of 1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;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-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (CID 159496700) is 1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;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-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;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-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;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-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is CC(=O)N1CCc2nnc(C(C)C)n2C1.CC(=O)N1CCn2c(nnc2C(C)C)C1.CC(C)c1nnc2cc(C(=O)O)ccn12.CC(C)c1nnc2cc(NC(=O)N(C)C)ccn12.CC(C)c1nnc2ccc(C(=O)O)cn12.CC(C)c1nnc2n1CCCC2.CC(C)c1nnc2n1CCN(C)C2.CC(C)c1nnc2n1CCN(S(C)(=O)=O)C2.CC(C)c1nnc2n1CCNC2.CC(C)c1nnc2n1CCOC2.CC(C)c1nnc2n1CN(C)CC2.CC(C)c1nnc2n1CN(S(C)(=O)=O)CC2.CC(C)c1nnc2n1COCC2.CC(C)c1onc2ccccc12.CC(C)c1snc2ccccc12.
What is the InChIKey of 1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;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-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The InChIKey is LYWIGKDEGTZEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O.2C10H16N4O.2C10H11N3O2.C10H11NO.C10H11NS.2C9H16N4O2S.2C9H16N4.C9H15N3.C8H14N4.2C8H13N3O/c1-8(2)11-15-14-10-7-9(5-6-17(10)11)13-12(18)16(3)4;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)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;2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)9-11-10-8-6-12(16(3,14)15)4-5-13(8)9;1-7(2)9-11-10-8-4-5-12(6-13(8)9)16(3,14)15;1-7(2)9-11-10-8-6-12(3)4-5-13(8)9;1-7(2)9-11-10-8-4-5-12(3)6-13(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/h5-8H,1-4H3,(H,13,18);2*7H,4-6H2,1-3H3;2*3-6H,1-2H3,(H,14,15);2*3-7H,1-2H3;2*7H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;7H,3-6H2,1-2H3;6,9H,3-5H2,1-2H3;2*6H,3-5H2,1-2H3.
What are the key properties of 1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;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-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;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-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid has a molecular weight of 2927.78 g/mol, XLogP of 19.10, 20 rotatable bonds, 4 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;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-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 159496700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).