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

C9H11N5 — CID 82125481

IUPAC(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESCn1c(CN)nnc1-c1ccccn1
InChIInChI=1S/C9H11N5/c1-14-8(6-10)12-13-9(14)7-4-2-3-5-11-7/h2-5H,6,10H2,1H3
InChIKeyTWWPAELHLLOWEJ-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.34
Rot. Bonds2

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

(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine (PubChem CID 82125481) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is (4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine
PubChem CID82125481
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESCn1c(CN)nnc1-c1ccccn1
InChIInChI=1S/C9H11N5/c1-14-8(6-10)12-13-9(14)7-4-2-3-5-11-7/h2-5H,6,10H2,1H3
InChIKeyTWWPAELHLLOWEJ-UHFFFAOYSA-N
XLogP0.34
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanamine
CID 112593887
[5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 112593888
CID 119080360
CID 119080360
[5-(2,3-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 112594015
1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide
CID 116828513
2-[4-methyl-5-(3-phenylpropylsulfonyl)-1,2,4-triazol-3-yl]pyridine
CID 122157849
propane;2-pyridin-2-ylpyridine
CID 158168510
[4-methyl-5-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 112593949
2-(4-propyl-1,2,4-triazol-3-yl)pyridine
CID 115394967
(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)methanamine
CID 71472388
(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methanamine
CID 28916463
[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 82131112

Frequently Asked Questions

What is the IUPAC name of (4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine (CID 82125481) is (4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine is Cn1c(CN)nnc1-c1ccccn1.
What is the InChIKey of (4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is TWWPAELHLLOWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-14-8(6-10)12-13-9(14)7-4-2-3-5-11-7/h2-5H,6,10H2,1H3.
What are the key properties of (4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine?
(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 189.22 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 82125481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).