N-(2H-benzotriazol-5-ylmethyl)-1-phenylmethanamine

C14H14N4 — CID 11681145

IUPACN-(2H-benzotriazol-5-ylmethyl)-1-phenylmethanamine
SMILESc1ccc(CNCc2ccc3n[nH]nc3c2)cc1
InChIInChI=1S/C14H14N4/c1-2-4-11(5-3-1)9-15-10-12-6-7-13-14(8-12)17-18-16-13/h1-8,15H,9-10H2,(H,16,17,18)
InChIKeyQCMHCHOZZNNXGA-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.25
Rot. Bonds4

About N-(2H-benzotriazol-5-ylmethyl)-1-phenylmethanamine

N-(2H-benzotriazol-5-ylmethyl)-1-phenylmethanamine (PubChem CID 11681145) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-ylmethyl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-ylmethyl)-1-phenylmethanamine
PubChem CID11681145
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-(2H-benzotriazol-5-ylmethyl)-1-phenylmethanamine
SMILESc1ccc(CNCc2ccc3n[nH]nc3c2)cc1
InChIInChI=1S/C14H14N4/c1-2-4-11(5-3-1)9-15-10-12-6-7-13-14(8-12)17-18-16-13/h1-8,15H,9-10H2,(H,16,17,18)
InChIKeyQCMHCHOZZNNXGA-UHFFFAOYSA-N
XLogP2.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-ylmethyl)-1-phenylmethanamine?
The IUPAC name of N-(2H-benzotriazol-5-ylmethyl)-1-phenylmethanamine (CID 11681145) is N-(2H-benzotriazol-5-ylmethyl)-1-phenylmethanamine.
What is the SMILES notation for N-(2H-benzotriazol-5-ylmethyl)-1-phenylmethanamine?
The canonical SMILES for N-(2H-benzotriazol-5-ylmethyl)-1-phenylmethanamine is c1ccc(CNCc2ccc3n[nH]nc3c2)cc1.
What is the InChIKey of N-(2H-benzotriazol-5-ylmethyl)-1-phenylmethanamine?
The InChIKey is QCMHCHOZZNNXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-4-11(5-3-1)9-15-10-12-6-7-13-14(8-12)17-18-16-13/h1-8,15H,9-10H2,(H,16,17,18).
What are the key properties of N-(2H-benzotriazol-5-ylmethyl)-1-phenylmethanamine?
N-(2H-benzotriazol-5-ylmethyl)-1-phenylmethanamine has a molecular weight of 238.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-ylmethyl)-1-phenylmethanamine is sourced from PubChem (CID 11681145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).