[4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine

C14H12ClN5 — CID 82228170

IUPAC[4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nnnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12ClN5/c15-12-5-7-13(8-6-12)20-14(17-18-19-20)11-3-1-10(9-16)2-4-11/h1-8H,9,16H2
InChIKeyRQUQVUGTPJSMTO-UHFFFAOYSA-N
MW285.74 g/mol
LogP2.44
Rot. Bonds3

About [4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine

[4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine (PubChem CID 82228170) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is [4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine
PubChem CID82228170
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name[4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nnnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12ClN5/c15-12-5-7-13(8-6-12)20-14(17-18-19-20)11-3-1-10(9-16)2-4-11/h1-8H,9,16H2
InChIKeyRQUQVUGTPJSMTO-UHFFFAOYSA-N
XLogP2.44
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[1-(3-chlorophenyl)tetrazol-5-yl]phenyl]methanamine
CID 82228168
1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole
CID 2799603
[1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 71779054
4-[1-(4-propylphenyl)tetrazol-5-yl]aniline
CID 61352802
[4-(1-methyltetrazol-5-yl)phenyl]methanamine
CID 82228462
3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine
CID 2799832
4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol
CID 122501235
[4-(1-benzyltetrazol-5-yl)phenyl]methanamine
CID 82228443
[1-(4-chlorophenyl)tetrazol-5-yl]hydrazine
CID 131053219
1-(3-chlorophenyl)-5-phenyltetrazole
CID 854387
5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-2-fluoroaniline
CID 61353255
3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 61354046

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine?
The IUPAC name of [4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine (CID 82228170) is [4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine.
What is the SMILES notation for [4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine?
The canonical SMILES for [4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine is NCc1ccc(-c2nnnn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine?
The InChIKey is RQUQVUGTPJSMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c15-12-5-7-13(8-6-12)20-14(17-18-19-20)11-3-1-10(9-16)2-4-11/h1-8H,9,16H2.
What are the key properties of [4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine?
[4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine has a molecular weight of 285.74 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine is sourced from PubChem (CID 82228170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).