1-(5-chloro-2-methylphenyl)tetrazole

C8H7ClN4 — CID 11586443

IUPAC1-(5-chloro-2-methylphenyl)tetrazole
SMILESCc1ccc(Cl)cc1-n1cnnn1
InChIInChI=1S/C8H7ClN4/c1-6-2-3-7(9)4-8(6)13-5-10-11-12-13/h2-5H,1H3
InChIKeyJEGWOORYNSFOPC-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.62
Rot. Bonds1

About 1-(5-chloro-2-methylphenyl)tetrazole

1-(5-chloro-2-methylphenyl)tetrazole (PubChem CID 11586443) has the molecular formula C8H7ClN4 and a molecular weight of 194.62 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)tetrazole.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)tetrazole
PubChem CID11586443
Molecular FormulaC8H7ClN4
Molecular Weight194.62 g/mol
Exact Mass194.04
IUPAC Name1-(5-chloro-2-methylphenyl)tetrazole
SMILESCc1ccc(Cl)cc1-n1cnnn1
InChIInChI=1S/C8H7ClN4/c1-6-2-3-7(9)4-8(6)13-5-10-11-12-13/h2-5H,1H3
InChIKeyJEGWOORYNSFOPC-UHFFFAOYSA-N
XLogP1.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)tetrazole;hydrochloride
CID 174468330
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 52597486
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 52597487
2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole
CID 142810831
N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 60780934
4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline
CID 43738043
acetic acid;[5-chloro-2-(tetrazol-1-yl)phenyl]methanamine
CID 68844112
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 42570048
N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441751
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone
CID 55775091

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)tetrazole?
The IUPAC name of 1-(5-chloro-2-methylphenyl)tetrazole (CID 11586443) is 1-(5-chloro-2-methylphenyl)tetrazole.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)tetrazole?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)tetrazole is Cc1ccc(Cl)cc1-n1cnnn1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)tetrazole?
The InChIKey is JEGWOORYNSFOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c1-6-2-3-7(9)4-8(6)13-5-10-11-12-13/h2-5H,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)tetrazole?
1-(5-chloro-2-methylphenyl)tetrazole has a molecular weight of 194.62 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)tetrazole is sourced from PubChem (CID 11586443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).