5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine

C13H14N8 — CID 50982735

IUPAC5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine
SMILESCc1cc(-n2nc(C3CC3)nc2-c2nc(N)n[nH]2)ccn1
InChIInChI=1S/C13H14N8/c1-7-6-9(4-5-15-7)21-12(11-17-13(14)19-18-11)16-10(20-21)8-2-3-8/h4-6,8H,2-3H2,1H3,(H3,14,17,18,19)
InChIKeyASNKFXMGLCAASM-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.22
Rot. Bonds3

About 5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine

5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 50982735) has the molecular formula C13H14N8 and a molecular weight of 282.31 g/mol. Its IUPAC name is 5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine
PubChem CID50982735
Molecular FormulaC13H14N8
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine
SMILESCc1cc(-n2nc(C3CC3)nc2-c2nc(N)n[nH]2)ccn1
InChIInChI=1S/C13H14N8/c1-7-6-9(4-5-15-7)21-12(11-17-13(14)19-18-11)16-10(20-21)8-2-3-8/h4-6,8H,2-3H2,1H3,(H3,14,17,18,19)
InChIKeyASNKFXMGLCAASM-UHFFFAOYSA-N
XLogP1.22
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine 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

5-(6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-amine
CID 140755419
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine
CID 106753267
5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1H-1,2,4-triazol-3-amine
CID 62792687
4-(3-amino-1H-1,2,4-triazol-5-yl)-N,N-diethylpyridin-2-amine
CID 12889423
2-[5-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50980083
2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine
CID 50976888
5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 62794225
1-(2-methyl-4-pyridinyl)imidazolidin-2-one
CID 170628851
1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 123591511
5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole
CID 50950296
4-(4-cyclopropylimidazol-1-yl)-6-methylpyridin-2-amine
CID 142350842
4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 106752830

Frequently Asked Questions

What is the IUPAC name of 5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine (CID 50982735) is 5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine is Cc1cc(-n2nc(C3CC3)nc2-c2nc(N)n[nH]2)ccn1.
What is the InChIKey of 5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is ASNKFXMGLCAASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8/c1-7-6-9(4-5-15-7)21-12(11-17-13(14)19-18-11)16-10(20-21)8-2-3-8/h4-6,8H,2-3H2,1H3,(H3,14,17,18,19).
What are the key properties of 5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine?
5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 282.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 50982735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).