2-methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine

C18H30N8 — CID 119153912

IUPAC2-methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
SMILESC/N=C(\NCc1c(C)nn(C)c1C)NC1CCc2nnc(C(C)C)n2C1
InChIInChI=1S/C18H30N8/c1-11(2)17-23-22-16-8-7-14(10-26(16)17)21-18(19-5)20-9-15-12(3)24-25(6)13(15)4/h11,14H,7-10H2,1-6H3,(H2,19,20,21)
InChIKeyIDZSBOYEWHQEQW-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.43
Rot. Bonds4

About 2-methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine

2-methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine (PubChem CID 119153912) has the molecular formula C18H30N8 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
PubChem CID119153912
Molecular FormulaC18H30N8
Molecular Weight358.49 g/mol
Exact Mass358.26
IUPAC Name2-methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
SMILESC/N=C(\NCc1c(C)nn(C)c1C)NC1CCc2nnc(C(C)C)n2C1
InChIInChI=1S/C18H30N8/c1-11(2)17-23-22-16-8-7-14(10-26(16)17)21-18(19-5)20-9-15-12(3)24-25(6)13(15)4/h11,14H,7-10H2,1-6H3,(H2,19,20,21)
InChIKeyIDZSBOYEWHQEQW-UHFFFAOYSA-N
XLogP1.43
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-hydroxyethyl)-2-methyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)guanidine
CID 119152581
2-methyl-1-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)guanidine
CID 119159782
2-methyl-1-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)guanidine;hydroiodide
CID 119159781
1-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-methyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)guanidine
CID 119157060
2-methyl-1-[2-(oxan-4-yl)ethyl]-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)guanidine
CID 119153951
2-methyl-1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)guanidine;hydroiodide
CID 119157129
1-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)guanidine
CID 119162310
1-(4-cyclohexylbutan-2-yl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 109482815
4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide
CID 97316005
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111951980
2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111952872
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide
CID 95342704

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine (CID 119153912) is 2-methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine is C/N=C(\NCc1c(C)nn(C)c1C)NC1CCc2nnc(C(C)C)n2C1.
What is the InChIKey of 2-methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
The InChIKey is IDZSBOYEWHQEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N8/c1-11(2)17-23-22-16-8-7-14(10-26(16)17)21-18(19-5)20-9-15-12(3)24-25(6)13(15)4/h11,14H,7-10H2,1-6H3,(H2,19,20,21).
What are the key properties of 2-methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
2-methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine has a molecular weight of 358.49 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine is sourced from PubChem (CID 119153912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).