(4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine

C7H10N6 — CID 131111170

IUPAC(4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine
SMILESCn1cnnc1C(N)c1cn[nH]c1
InChIInChI=1S/C7H10N6/c1-13-4-11-12-7(13)6(8)5-2-9-10-3-5/h2-4,6H,8H2,1H3,(H,9,10)
InChIKeyOQVDERKHZBSNGA-UHFFFAOYSA-N
MW178.20 g/mol
LogP-0.41
Rot. Bonds2

About (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine

(4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine (PubChem CID 131111170) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine
PubChem CID131111170
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name(4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine
SMILESCn1cnnc1C(N)c1cn[nH]c1
InChIInChI=1S/C7H10N6/c1-13-4-11-12-7(13)6(8)5-2-9-10-3-5/h2-4,6H,8H2,1H3,(H,9,10)
InChIKeyOQVDERKHZBSNGA-UHFFFAOYSA-N
XLogP-0.41
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine 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 (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine?
The IUPAC name of (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine (CID 131111170) is (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine?
The canonical SMILES for (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine is Cn1cnnc1C(N)c1cn[nH]c1.
What is the InChIKey of (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine?
The InChIKey is OQVDERKHZBSNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-13-4-11-12-7(13)6(8)5-2-9-10-3-5/h2-4,6H,8H2,1H3,(H,9,10).
What are the key properties of (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine?
(4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine has a molecular weight of 178.20 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 131111170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).