N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine

C9H11N5 — CID 69317898

IUPACN-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine
SMILESCNCc1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C9H11N5/c1-10-6-8-12-9(14-13-8)7-2-4-11-5-3-7/h2-5,10H,6H2,1H3,(H,12,13,14)
InChIKeyWJEXVFHLBFWLKU-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.59
Rot. Bonds3

About N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine

N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 69317898) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine
PubChem CID69317898
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine
SMILESCNCc1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C9H11N5/c1-10-6-8-12-9(14-13-8)7-2-4-11-5-3-7/h2-5,10H,6H2,1H3,(H,12,13,14)
InChIKeyWJEXVFHLBFWLKU-UHFFFAOYSA-N
XLogP0.59
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine;dihydrochloride
CID 162335175
N-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]methanamine
CID 82569022
2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 11264149
tert-butyl N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate
CID 71124077
1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine
CID 82569006
4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 82569633
1-(2-methylbutyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]urea
CID 155951877
5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide
CID 46958783
N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide
CID 25106890
2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 91760353
2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 16672586
5,6-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1H-pyridine-3-carboxamide
CID 70744904

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine (CID 69317898) is N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine is CNCc1nc(-c2ccncc2)n[nH]1.
What is the InChIKey of N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is WJEXVFHLBFWLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-10-6-8-12-9(14-13-8)7-2-4-11-5-3-7/h2-5,10H,6H2,1H3,(H,12,13,14).
What are the key properties of N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine?
N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 189.22 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 69317898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).