(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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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).