N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine

C15H14ClN5 — CID 9195387

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
SMILESCN(Cc1cccc(Cl)c1)c1nnnn1-c1ccccc1
InChIInChI=1S/C15H14ClN5/c1-20(11-12-6-5-7-13(16)10-12)15-17-18-19-21(15)14-8-3-2-4-9-14/h2-10H,11H2,1H3
InChIKeyPNNZYTKYLBYNIK-UHFFFAOYSA-N
MW299.77 g/mol
LogP2.95
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine

N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine (PubChem CID 9195387) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
PubChem CID9195387
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
SMILESCN(Cc1cccc(Cl)c1)c1nnnn1-c1ccccc1
InChIInChI=1S/C15H14ClN5/c1-20(11-12-6-5-7-13(16)10-12)15-17-18-19-21(15)14-8-3-2-4-9-14/h2-10H,11H2,1H3
InChIKeyPNNZYTKYLBYNIK-UHFFFAOYSA-N
XLogP2.95
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195075
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 131949894
1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60671794
5-[(3-chlorophenyl)methylsulfanylmethyl]-1-phenyltetrazole
CID 52561068
1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 62333734
N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine
CID 56789625
1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine
CID 63760949
N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine
CID 55090772
N-(2-chloroethyl)-1-phenyl-N-propyltetrazol-5-amine
CID 55184250
1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 18088026
N-(5-chloro-2-methoxyphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide
CID 4788437
N-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 2867833

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine (CID 9195387) is N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine is CN(Cc1cccc(Cl)c1)c1nnnn1-c1ccccc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
The InChIKey is PNNZYTKYLBYNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-20(11-12-6-5-7-13(16)10-12)15-17-18-19-21(15)14-8-3-2-4-9-14/h2-10H,11H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine has a molecular weight of 299.77 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine is sourced from PubChem (CID 9195387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).