2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine

C9H10ClN5 — CID 90233804

IUPAC2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine
SMILESNCc1cc(Cl)ccc1-n1ncc(N)n1
InChIInChI=1S/C9H10ClN5/c10-7-1-2-8(6(3-7)4-11)15-13-5-9(12)14-15/h1-3,5H,4,11H2,(H2,12,14)
InChIKeyYQNHOJUEDOGNKZ-UHFFFAOYSA-N
MW223.67 g/mol
LogP0.96
Rot. Bonds2

About 2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine

2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine (PubChem CID 90233804) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine
PubChem CID90233804
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine
SMILESNCc1cc(Cl)ccc1-n1ncc(N)n1
InChIInChI=1S/C9H10ClN5/c10-7-1-2-8(6(3-7)4-11)15-13-5-9(12)14-15/h1-3,5H,4,11H2,(H2,12,14)
InChIKeyYQNHOJUEDOGNKZ-UHFFFAOYSA-N
XLogP0.96
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine?
The IUPAC name of 2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine (CID 90233804) is 2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine.
What is the SMILES notation for 2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine?
The canonical SMILES for 2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine is NCc1cc(Cl)ccc1-n1ncc(N)n1.
What is the InChIKey of 2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine?
The InChIKey is YQNHOJUEDOGNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c10-7-1-2-8(6(3-7)4-11)15-13-5-9(12)14-15/h1-3,5H,4,11H2,(H2,12,14).
What are the key properties of 2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine?
2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine has a molecular weight of 223.67 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine is sourced from PubChem (CID 90233804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).