1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

C7H10N6 — CID 60979310

IUPAC1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESc1cc(CNCc2ncn[nH]2)[nH]n1
InChIInChI=1S/C7H10N6/c1-2-10-12-6(1)3-8-4-7-9-5-11-13-7/h1-2,5,8H,3-4H2,(H,10,12)(H,9,11,13)
InChIKeyXGKNQWRSGDQBQT-UHFFFAOYSA-N
MW178.20 g/mol
LogP-0.18
Rot. Bonds4

About 1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (PubChem CID 60979310) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
PubChem CID60979310
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESc1cc(CNCc2ncn[nH]2)[nH]n1
InChIInChI=1S/C7H10N6/c1-2-10-12-6(1)3-8-4-7-9-5-11-13-7/h1-2,5,8H,3-4H2,(H,10,12)(H,9,11,13)
InChIKeyXGKNQWRSGDQBQT-UHFFFAOYSA-N
XLogP-0.18
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine 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-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
1-(1H-pyrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61286025
N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,3,6-trichlorophenyl)methanamine
CID 93396129
6-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyridin-3-ol
CID 79783648
1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 63204693
1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60978892
N,N-dimethyl-4-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]aniline
CID 54884726
1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61286252
4-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]benzoic acid
CID 65347630
1-(3-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60977816
2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
CID 43662218
1-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 43662344

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (CID 60979310) is 1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is c1cc(CNCc2ncn[nH]2)[nH]n1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The InChIKey is XGKNQWRSGDQBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-2-10-12-6(1)3-8-4-7-9-5-11-13-7/h1-2,5,8H,3-4H2,(H,10,12)(H,9,11,13).
What are the key properties of 1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine has a molecular weight of 178.20 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is sourced from PubChem (CID 60979310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).