[3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methanamine

C9H11N5 — CID 62894674

IUPAC[3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methanamine
SMILESNCc1ncccc1Cn1cncn1
InChIInChI=1S/C9H11N5/c10-4-9-8(2-1-3-12-9)5-14-7-11-6-13-14/h1-3,6-7H,4-5,10H2
InChIKeyJXKHIMAXQSPXSU-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.18
Rot. Bonds3

About [3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methanamine

[3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methanamine (PubChem CID 62894674) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is [3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methanamine
PubChem CID62894674
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name[3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methanamine
SMILESNCc1ncccc1Cn1cncn1
InChIInChI=1S/C9H11N5/c10-4-9-8(2-1-3-12-9)5-14-7-11-6-13-14/h1-3,6-7H,4-5,10H2
InChIKeyJXKHIMAXQSPXSU-UHFFFAOYSA-N
XLogP0.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895020
[3-[(3-cyclopropylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 64779552
5-(1,2,4-triazol-1-ylmethyl)quinolin-8-ol
CID 155551807
[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895707
2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine
CID 102265098
2-[[2-(aminomethyl)-3-pyridinyl]methyl]isoindole-1,3-dione;hydrochloride
CID 67101110
1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol
CID 62888575
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447936
[3-[(dimethylamino)methyl]-2-pyridinyl]methanamine
CID 62893638
2-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]isoindole-1,3-dione
CID 139645852
[2-(azetidin-1-ylmethyl)-3-pyridinyl]methanamine
CID 105437205
N-[[2-(aminomethyl)-3-pyridinyl]methyl]aniline
CID 105466958

Frequently Asked Questions

What is the IUPAC name of [3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methanamine?
The IUPAC name of [3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methanamine (CID 62894674) is [3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methanamine is NCc1ncccc1Cn1cncn1.
What is the InChIKey of [3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methanamine?
The InChIKey is JXKHIMAXQSPXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-4-9-8(2-1-3-12-9)5-14-7-11-6-13-14/h1-3,6-7H,4-5,10H2.
What are the key properties of [3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methanamine?
[3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methanamine has a molecular weight of 189.22 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 62894674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).