[2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine

C9H10ClN5 — CID 82287272

IUPAC[2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine
SMILESCc1ccc(-n2nnc(CN)n2)cc1Cl
InChIInChI=1S/C9H10ClN5/c1-6-2-3-7(4-8(6)10)15-13-9(5-11)12-14-15/h2-4H,5,11H2,1H3
InChIKeyOYFHQAPGJWSMOV-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.08
Rot. Bonds2

About [2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine

[2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine (PubChem CID 82287272) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is [2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine
PubChem CID82287272
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name[2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine
SMILESCc1ccc(-n2nnc(CN)n2)cc1Cl
InChIInChI=1S/C9H10ClN5/c1-6-2-3-7(4-8(6)10)15-13-9(5-11)12-14-15/h2-4H,5,11H2,1H3
InChIKeyOYFHQAPGJWSMOV-UHFFFAOYSA-N
XLogP1.08
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N'-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]ethanimidamide
CID 169366690
[1-(3-chloro-4-methylphenyl)imidazol-4-yl]methanamine
CID 82472948
2-(3,4-dichlorophenyl)-5-[(3-methylphenyl)methyl]tetrazole
CID 90032618
[2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine
CID 82294024
[5-butyl-1-(3-chloro-4-methylphenyl)triazol-4-yl]methanamine
CID 82198903
[1-(3-chloro-4-methylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine
CID 94938737
1-[1-(3-chloro-4-methylphenyl)triazol-4-yl]propan-1-amine
CID 106226670
3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole
CID 63385020
1-(3-chloro-4-methylphenyl)triazole
CID 144674616
2-[2-(3-chloro-4-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82481041
2-(3-fluoro-4-methylphenyl)tetrazol-5-amine
CID 171371574
[2-(2-ethylphenyl)tetrazol-5-yl]methanamine
CID 82282627

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine?
The IUPAC name of [2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine (CID 82287272) is [2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine is Cc1ccc(-n2nnc(CN)n2)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine?
The InChIKey is OYFHQAPGJWSMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-6-2-3-7(4-8(6)10)15-13-9(5-11)12-14-15/h2-4H,5,11H2,1H3.
What are the key properties of [2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine?
[2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine has a molecular weight of 223.67 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 82287272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).