3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-ol;1-propan-2-ylpyrazole-4-carboxamide;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C36H55N19O4 — CID 159935200

IUPAC3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-ol;1-propan-2-ylpyrazole-4-carboxamide;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCC(C)c1nnc2c(N)ccnn12.CC(C)n1cc(C(N)=O)cn1.CC(C)n1cc(C(N)=O)nn1.CC(C)n1cnc(C(N)=O)n1.CC(C)n1cnc2c1N=CCC2O
InChIInChI=1S/C9H13N3O.C8H11N5.C7H11N3O.2C6H10N4O/c1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)10-4-6(3-9-10)7(8)11;1-4(2)10-3-8-6(9-10)5(7)11;1-4(2)10-3-5(6(7)11)8-9-10/h4-7,13H,3H2,1-2H3;3-5H,9H2,1-2H3;3-5H,1-2H3,(H2,8,11);2*3-4H,1-2H3,(H2,7,11)
InChIKeyOADTXKZWABBADM-UHFFFAOYSA-N
MW817.96 g/mol
LogP2.91
Rot. Bonds8

About 3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-ol;1-propan-2-ylpyrazole-4-carboxamide;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-ol;1-propan-2-ylpyrazole-4-carboxamide;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 159935200) has the molecular formula C36H55N19O4 and a molecular weight of 817.96 g/mol. Its IUPAC name is 3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-ol;1-propan-2-ylpyrazole-4-carboxamide;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-ol;1-propan-2-ylpyrazole-4-carboxamide;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID159935200
Molecular FormulaC36H55N19O4
Molecular Weight817.96 g/mol
Exact Mass817.47
IUPAC Name3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-ol;1-propan-2-ylpyrazole-4-carboxamide;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCC(C)c1nnc2c(N)ccnn12.CC(C)n1cc(C(N)=O)cn1.CC(C)n1cc(C(N)=O)nn1.CC(C)n1cnc(C(N)=O)n1.CC(C)n1cnc2c1N=CCC2O
InChIInChI=1S/C9H13N3O.C8H11N5.C7H11N3O.2C6H10N4O/c1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)10-4-6(3-9-10)7(8)11;1-4(2)10-3-8-6(9-10)5(7)11;1-4(2)10-3-5(6(7)11)8-9-10/h4-7,13H,3H2,1-2H3;3-5H,9H2,1-2H3;3-5H,1-2H3,(H2,8,11);2*3-4H,1-2H3,(H2,7,11)
InChIKeyOADTXKZWABBADM-UHFFFAOYSA-N
XLogP2.91
TPSA328.02 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.96
LogP ≤ 52.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-ol;1-propan-2-ylpyrazole-4-carboxamide;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-ol;1-propan-2-ylpyrazole-4-carboxamide;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-ol;1-propan-2-ylpyrazole-4-carboxamide;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 159935200) is 3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-ol;1-propan-2-ylpyrazole-4-carboxamide;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-ol;1-propan-2-ylpyrazole-4-carboxamide;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-ol;1-propan-2-ylpyrazole-4-carboxamide;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is CC(C)c1nnc2c(N)ccnn12.CC(C)n1cc(C(N)=O)cn1.CC(C)n1cc(C(N)=O)nn1.CC(C)n1cnc(C(N)=O)n1.CC(C)n1cnc2c1N=CCC2O.
What is the InChIKey of 3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-ol;1-propan-2-ylpyrazole-4-carboxamide;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is OADTXKZWABBADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.C8H11N5.C7H11N3O.2C6H10N4O/c1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)10-4-6(3-9-10)7(8)11;1-4(2)10-3-8-6(9-10)5(7)11;1-4(2)10-3-5(6(7)11)8-9-10/h4-7,13H,3H2,1-2H3;3-5H,9H2,1-2H3;3-5H,1-2H3,(H2,8,11);2*3-4H,1-2H3,(H2,7,11).
What are the key properties of 3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-ol;1-propan-2-ylpyrazole-4-carboxamide;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-ol;1-propan-2-ylpyrazole-4-carboxamide;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 817.96 g/mol, XLogP of 2.91, 8 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridin-7-ol;1-propan-2-ylpyrazole-4-carboxamide;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 159935200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).