2-[(5-phenyltetrazol-2-yl)methyl]pyridine

C13H11N5 — CID 134010962

IUPAC2-[(5-phenyltetrazol-2-yl)methyl]pyridine
SMILESc1ccc(-c2nnn(Cc3ccccn3)n2)cc1
InChIInChI=1S/C13H11N5/c1-2-6-11(7-3-1)13-15-17-18(16-13)10-12-8-4-5-9-14-12/h1-9H,10H2
InChIKeyRBVWFAIZTNVHRD-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.78
Rot. Bonds3

About 2-[(5-phenyltetrazol-2-yl)methyl]pyridine

2-[(5-phenyltetrazol-2-yl)methyl]pyridine (PubChem CID 134010962) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-[(5-phenyltetrazol-2-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[(5-phenyltetrazol-2-yl)methyl]pyridine
PubChem CID134010962
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name2-[(5-phenyltetrazol-2-yl)methyl]pyridine
SMILESc1ccc(-c2nnn(Cc3ccccn3)n2)cc1
InChIInChI=1S/C13H11N5/c1-2-6-11(7-3-1)13-15-17-18(16-13)10-12-8-4-5-9-14-12/h1-9H,10H2
InChIKeyRBVWFAIZTNVHRD-UHFFFAOYSA-N
XLogP1.78
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[(5-phenyltetrazol-2-yl)methyl]pyridin-4-amine
CID 79251622
2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine
CID 103054482
2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine
CID 30176128
methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate
CID 162443610
N-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46974306
[4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine
CID 62471223
[3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
CID 62448659
3-bromo-5-[(5-phenyltetrazol-2-yl)methyl]aniline
CID 103350064
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine
CID 124530595
2-[(3-phenylpyrazol-1-yl)methyl]pyridine
CID 118497014

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyltetrazol-2-yl)methyl]pyridine?
The IUPAC name of 2-[(5-phenyltetrazol-2-yl)methyl]pyridine (CID 134010962) is 2-[(5-phenyltetrazol-2-yl)methyl]pyridine.
What is the SMILES notation for 2-[(5-phenyltetrazol-2-yl)methyl]pyridine?
The canonical SMILES for 2-[(5-phenyltetrazol-2-yl)methyl]pyridine is c1ccc(-c2nnn(Cc3ccccn3)n2)cc1.
What is the InChIKey of 2-[(5-phenyltetrazol-2-yl)methyl]pyridine?
The InChIKey is RBVWFAIZTNVHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c1-2-6-11(7-3-1)13-15-17-18(16-13)10-12-8-4-5-9-14-12/h1-9H,10H2.
What are the key properties of 2-[(5-phenyltetrazol-2-yl)methyl]pyridine?
2-[(5-phenyltetrazol-2-yl)methyl]pyridine has a molecular weight of 237.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyltetrazol-2-yl)methyl]pyridine is sourced from PubChem (CID 134010962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).