[5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine

C9H9ClN4 — CID 105462517

IUPAC[5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine
SMILESNCc1n[nH]nc1-c1ccccc1Cl
InChIInChI=1S/C9H9ClN4/c10-7-4-2-1-3-6(7)9-8(5-11)12-14-13-9/h1-4H,5,11H2,(H,12,13,14)
InChIKeyQIZSDZPKMIWUNQ-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.58
Rot. Bonds2

About [5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine

[5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine (PubChem CID 105462517) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine
PubChem CID105462517
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name[5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine
SMILESNCc1n[nH]nc1-c1ccccc1Cl
InChIInChI=1S/C9H9ClN4/c10-7-4-2-1-3-6(7)9-8(5-11)12-14-13-9/h1-4H,5,11H2,(H,12,13,14)
InChIKeyQIZSDZPKMIWUNQ-UHFFFAOYSA-N
XLogP1.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine?
The IUPAC name of [5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine (CID 105462517) is [5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine?
The canonical SMILES for [5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine is NCc1n[nH]nc1-c1ccccc1Cl.
What is the InChIKey of [5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine?
The InChIKey is QIZSDZPKMIWUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c10-7-4-2-1-3-6(7)9-8(5-11)12-14-13-9/h1-4H,5,11H2,(H,12,13,14).
What are the key properties of [5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine?
[5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine has a molecular weight of 208.65 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine is sourced from PubChem (CID 105462517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).