1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine

C16H17N5 — CID 62735546

IUPAC1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1-c1ccccc1Cc1ccccc1
InChIInChI=1S/C16H17N5/c1-17-12-16-18-19-20-21(16)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3
InChIKeyKFXDABJWOOQLOX-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.97
Rot. Bonds5

About 1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine

1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine (PubChem CID 62735546) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine
PubChem CID62735546
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1-c1ccccc1Cc1ccccc1
InChIInChI=1S/C16H17N5/c1-17-12-16-18-19-20-21(16)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3
InChIKeyKFXDABJWOOQLOX-UHFFFAOYSA-N
XLogP1.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine (CID 62735546) is 1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine is CNCc1nnnn1-c1ccccc1Cc1ccccc1.
What is the InChIKey of 1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine?
The InChIKey is KFXDABJWOOQLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-17-12-16-18-19-20-21(16)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3.
What are the key properties of 1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine?
1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine has a molecular weight of 279.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62735546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).