N-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine

C16H17N5 — CID 63943078

IUPACN-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(-n2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H17N5/c1-2-17-12-13-7-6-10-15(11-13)21-19-16(18-20-21)14-8-4-3-5-9-14/h3-11,17H,2,12H2,1H3
InChIKeyKIKWNFQKHCQOMZ-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.44
Rot. Bonds5

About N-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine

N-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine (PubChem CID 63943078) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine
PubChem CID63943078
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(-n2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H17N5/c1-2-17-12-13-7-6-10-15(11-13)21-19-16(18-20-21)14-8-4-3-5-9-14/h3-11,17H,2,12H2,1H3
InChIKeyKIKWNFQKHCQOMZ-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine (CID 63943078) is N-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine is CCNCc1cccc(-n2nnc(-c3ccccc3)n2)c1.
What is the InChIKey of N-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine?
The InChIKey is KIKWNFQKHCQOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-17-12-13-7-6-10-15(11-13)21-19-16(18-20-21)14-8-4-3-5-9-14/h3-11,17H,2,12H2,1H3.
What are the key properties of N-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine?
N-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine has a molecular weight of 279.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 63943078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).