2-[(3-chlorophenyl)methyl]-5-phenyltetrazole

C14H11ClN4 — CID 7278082

IUPAC2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
SMILESClc1cccc(Cn2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C14H11ClN4/c15-13-8-4-5-11(9-13)10-19-17-14(16-18-19)12-6-2-1-3-7-12/h1-9H,10H2
InChIKeyBQWIANHERMQHTB-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.04
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]-5-phenyltetrazole

2-[(3-chlorophenyl)methyl]-5-phenyltetrazole (PubChem CID 7278082) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-5-phenyltetrazole.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
PubChem CID7278082
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
SMILESClc1cccc(Cn2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C14H11ClN4/c15-13-8-4-5-11(9-13)10-19-17-14(16-18-19)12-6-2-1-3-7-12/h1-9H,10H2
InChIKeyBQWIANHERMQHTB-UHFFFAOYSA-N
XLogP3.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465674
(3-chlorophenyl)methyl 4-[2-[(3-chlorophenyl)methyl]tetrazol-5-yl]benzoate
CID 4917938
5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole
CID 7276493
5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole
CID 7490709
3-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 119053622
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
CID 19472615
2-benzyl-5-(2-chlorophenyl)tetrazole
CID 4809386
N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19269117
N-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide
CID 7490632
3-chloro-2-[(5-phenyltetrazol-2-yl)methyl]aniline
CID 63747473
3-(3-chlorophenyl)-5-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 17490289
[4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine
CID 62471223

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-5-phenyltetrazole?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-5-phenyltetrazole (CID 7278082) is 2-[(3-chlorophenyl)methyl]-5-phenyltetrazole.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-5-phenyltetrazole?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-5-phenyltetrazole is Clc1cccc(Cn2nnc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-5-phenyltetrazole?
The InChIKey is BQWIANHERMQHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c15-13-8-4-5-11(9-13)10-19-17-14(16-18-19)12-6-2-1-3-7-12/h1-9H,10H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-5-phenyltetrazole?
2-[(3-chlorophenyl)methyl]-5-phenyltetrazole has a molecular weight of 270.72 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-5-phenyltetrazole is sourced from PubChem (CID 7278082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).