[2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine

C13H12N6 — CID 62293246

IUPAC[2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine
SMILESNCc1ccnc(-n2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C13H12N6/c14-9-10-6-7-15-12(8-10)19-17-13(16-18-19)11-4-2-1-3-5-11/h1-8H,9,14H2
InChIKeyDKTYWOPMQSVTPI-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.18
Rot. Bonds3

About [2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine

[2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine (PubChem CID 62293246) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is [2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine
PubChem CID62293246
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name[2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine
SMILESNCc1ccnc(-n2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C13H12N6/c14-9-10-6-7-15-12(8-10)19-17-13(16-18-19)11-4-2-1-3-5-11/h1-8H,9,14H2
InChIKeyDKTYWOPMQSVTPI-UHFFFAOYSA-N
XLogP1.18
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine?
The IUPAC name of [2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine (CID 62293246) is [2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine is NCc1ccnc(-n2nnc(-c3ccccc3)n2)c1.
What is the InChIKey of [2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine?
The InChIKey is DKTYWOPMQSVTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c14-9-10-6-7-15-12(8-10)19-17-13(16-18-19)11-4-2-1-3-5-11/h1-8H,9,14H2.
What are the key properties of [2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine?
[2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine has a molecular weight of 252.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 62293246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).