5-ethyl-2-(3-methylphenyl)tetrazole

C10H12N4 — CID 143793801

IUPAC5-ethyl-2-(3-methylphenyl)tetrazole
SMILESCCc1nnn(-c2cccc(C)c2)n1
InChIInChI=1S/C10H12N4/c1-3-10-11-13-14(12-10)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKeyBRBNRIQADMAJAI-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.53
Rot. Bonds2

About 5-ethyl-2-(3-methylphenyl)tetrazole

5-ethyl-2-(3-methylphenyl)tetrazole (PubChem CID 143793801) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-ethyl-2-(3-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-ethyl-2-(3-methylphenyl)tetrazole
PubChem CID143793801
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name5-ethyl-2-(3-methylphenyl)tetrazole
SMILESCCc1nnn(-c2cccc(C)c2)n1
InChIInChI=1S/C10H12N4/c1-3-10-11-13-14(12-10)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKeyBRBNRIQADMAJAI-UHFFFAOYSA-N
XLogP1.53
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid
CID 82285362
2-(3,4-dichlorophenyl)-5-[(3-methylphenyl)methyl]tetrazole
CID 90032618
5-methyl-2-(3-methylphenyl)benzotriazole
CID 57226885
N'-[1-[2-(3-methylphenyl)tetrazol-5-yl]ethyl]propane-1,3-diamine
CID 143576918
2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde
CID 87601401
1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine
CID 106226775
5-(2,2-dimethylpropyl)-2-phenyltetrazole
CID 69033317
[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine
CID 82076540
4-ethoxy-5-methyl-6-methylidene-1-(3-methylphenyl)pyridazine
CID 126536054
[2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine
CID 82287272
2-[4-(5-ethyltetrazol-2-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168609782
N-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine
CID 84771781

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-methylphenyl)tetrazole?
The IUPAC name of 5-ethyl-2-(3-methylphenyl)tetrazole (CID 143793801) is 5-ethyl-2-(3-methylphenyl)tetrazole.
What is the SMILES notation for 5-ethyl-2-(3-methylphenyl)tetrazole?
The canonical SMILES for 5-ethyl-2-(3-methylphenyl)tetrazole is CCc1nnn(-c2cccc(C)c2)n1.
What is the InChIKey of 5-ethyl-2-(3-methylphenyl)tetrazole?
The InChIKey is BRBNRIQADMAJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-3-10-11-13-14(12-10)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-(3-methylphenyl)tetrazole?
5-ethyl-2-(3-methylphenyl)tetrazole has a molecular weight of 188.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-methylphenyl)tetrazole is sourced from PubChem (CID 143793801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).