4-(aminomethyl)-2-(triazol-2-yl)phenol

C9H10N4O — CID 84662591

IUPAC4-(aminomethyl)-2-(triazol-2-yl)phenol
SMILESNCc1ccc(O)c(-n2nccn2)c1
InChIInChI=1S/C9H10N4O/c10-6-7-1-2-9(14)8(5-7)13-11-3-4-12-13/h1-5,14H,6,10H2
InChIKeyBWWNWEZYJMDBMV-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.43
Rot. Bonds2

About 4-(aminomethyl)-2-(triazol-2-yl)phenol

4-(aminomethyl)-2-(triazol-2-yl)phenol (PubChem CID 84662591) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(triazol-2-yl)phenol.

Molecular Properties

Compound Name4-(aminomethyl)-2-(triazol-2-yl)phenol
PubChem CID84662591
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name4-(aminomethyl)-2-(triazol-2-yl)phenol
SMILESNCc1ccc(O)c(-n2nccn2)c1
InChIInChI=1S/C9H10N4O/c10-6-7-1-2-9(14)8(5-7)13-11-3-4-12-13/h1-5,14H,6,10H2
InChIKeyBWWNWEZYJMDBMV-UHFFFAOYSA-N
XLogP0.43
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(triazol-2-yl)phenol?
The IUPAC name of 4-(aminomethyl)-2-(triazol-2-yl)phenol (CID 84662591) is 4-(aminomethyl)-2-(triazol-2-yl)phenol.
What is the SMILES notation for 4-(aminomethyl)-2-(triazol-2-yl)phenol?
The canonical SMILES for 4-(aminomethyl)-2-(triazol-2-yl)phenol is NCc1ccc(O)c(-n2nccn2)c1.
What is the InChIKey of 4-(aminomethyl)-2-(triazol-2-yl)phenol?
The InChIKey is BWWNWEZYJMDBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-6-7-1-2-9(14)8(5-7)13-11-3-4-12-13/h1-5,14H,6,10H2.
What are the key properties of 4-(aminomethyl)-2-(triazol-2-yl)phenol?
4-(aminomethyl)-2-(triazol-2-yl)phenol has a molecular weight of 190.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(triazol-2-yl)phenol is sourced from PubChem (CID 84662591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).