4-(aminomethyl)-2-(5-chloro-2H-benzotriazol-4-yl)phenol

C13H11ClN4O — CID 174359998

IUPAC4-(aminomethyl)-2-(5-chloro-2H-benzotriazol-4-yl)phenol
SMILESNCc1ccc(O)c(-c2c(Cl)ccc3n[nH]nc23)c1
InChIInChI=1S/C13H11ClN4O/c14-9-2-3-10-13(17-18-16-10)12(9)8-5-7(6-15)1-4-11(8)19/h1-5,19H,6,15H2,(H,16,17,18)
InChIKeyHVHCFXBPMZMTKY-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.44
Rot. Bonds2

About 4-(aminomethyl)-2-(5-chloro-2H-benzotriazol-4-yl)phenol

4-(aminomethyl)-2-(5-chloro-2H-benzotriazol-4-yl)phenol (PubChem CID 174359998) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(5-chloro-2H-benzotriazol-4-yl)phenol.

Molecular Properties

Compound Name4-(aminomethyl)-2-(5-chloro-2H-benzotriazol-4-yl)phenol
PubChem CID174359998
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name4-(aminomethyl)-2-(5-chloro-2H-benzotriazol-4-yl)phenol
SMILESNCc1ccc(O)c(-c2c(Cl)ccc3n[nH]nc23)c1
InChIInChI=1S/C13H11ClN4O/c14-9-2-3-10-13(17-18-16-10)12(9)8-5-7(6-15)1-4-11(8)19/h1-5,19H,6,15H2,(H,16,17,18)
InChIKeyHVHCFXBPMZMTKY-UHFFFAOYSA-N
XLogP2.44
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(5-chloro-2H-benzotriazol-4-yl)phenol?
The IUPAC name of 4-(aminomethyl)-2-(5-chloro-2H-benzotriazol-4-yl)phenol (CID 174359998) is 4-(aminomethyl)-2-(5-chloro-2H-benzotriazol-4-yl)phenol.
What is the SMILES notation for 4-(aminomethyl)-2-(5-chloro-2H-benzotriazol-4-yl)phenol?
The canonical SMILES for 4-(aminomethyl)-2-(5-chloro-2H-benzotriazol-4-yl)phenol is NCc1ccc(O)c(-c2c(Cl)ccc3n[nH]nc23)c1.
What is the InChIKey of 4-(aminomethyl)-2-(5-chloro-2H-benzotriazol-4-yl)phenol?
The InChIKey is HVHCFXBPMZMTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c14-9-2-3-10-13(17-18-16-10)12(9)8-5-7(6-15)1-4-11(8)19/h1-5,19H,6,15H2,(H,16,17,18).
What are the key properties of 4-(aminomethyl)-2-(5-chloro-2H-benzotriazol-4-yl)phenol?
4-(aminomethyl)-2-(5-chloro-2H-benzotriazol-4-yl)phenol has a molecular weight of 274.71 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(5-chloro-2H-benzotriazol-4-yl)phenol is sourced from PubChem (CID 174359998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).