[3-(triazol-1-yl)phenyl]methanamine

C9H10N4 — CID 71695457

IUPAC[3-(triazol-1-yl)phenyl]methanamine
SMILESNCc1cccc(-n2ccnn2)c1
InChIInChI=1S/C9H10N4/c10-7-8-2-1-3-9(6-8)13-5-4-11-12-13/h1-6H,7,10H2
InChIKeyUOOSRLZFDDWXBL-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.73
Rot. Bonds2

About [3-(triazol-1-yl)phenyl]methanamine

[3-(triazol-1-yl)phenyl]methanamine (PubChem CID 71695457) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is [3-(triazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(triazol-1-yl)phenyl]methanamine
PubChem CID71695457
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name[3-(triazol-1-yl)phenyl]methanamine
SMILESNCc1cccc(-n2ccnn2)c1
InChIInChI=1S/C9H10N4/c10-7-8-2-1-3-9(6-8)13-5-4-11-12-13/h1-6H,7,10H2
InChIKeyUOOSRLZFDDWXBL-UHFFFAOYSA-N
XLogP0.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(triazol-1-yl)phenyl]methanamine?
The IUPAC name of [3-(triazol-1-yl)phenyl]methanamine (CID 71695457) is [3-(triazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-(triazol-1-yl)phenyl]methanamine?
The canonical SMILES for [3-(triazol-1-yl)phenyl]methanamine is NCc1cccc(-n2ccnn2)c1.
What is the InChIKey of [3-(triazol-1-yl)phenyl]methanamine?
The InChIKey is UOOSRLZFDDWXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-7-8-2-1-3-9(6-8)13-5-4-11-12-13/h1-6H,7,10H2.
What are the key properties of [3-(triazol-1-yl)phenyl]methanamine?
[3-(triazol-1-yl)phenyl]methanamine has a molecular weight of 174.21 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(triazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 71695457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).