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

C14H12ClN5 — CID 2499898

IUPACN-[(3-chlorophenyl)methyl]-1-phenyltetrazol-5-amine
SMILESClc1cccc(CNc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C14H12ClN5/c15-12-6-4-5-11(9-12)10-16-14-17-18-19-20(14)13-7-2-1-3-8-13/h1-9H,10H2,(H,16,17,19)
InChIKeyFYHSQIKEGGXVMU-UHFFFAOYSA-N
MW285.74 g/mol
LogP2.93
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-1-phenyltetrazol-5-amine (PubChem CID 2499898) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-phenyltetrazol-5-amine
PubChem CID2499898
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC NameN-[(3-chlorophenyl)methyl]-1-phenyltetrazol-5-amine
SMILESClc1cccc(CNc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C14H12ClN5/c15-12-6-4-5-11(9-12)10-16-14-17-18-19-20(14)13-7-2-1-3-8-13/h1-9H,10H2,(H,16,17,19)
InChIKeyFYHSQIKEGGXVMU-UHFFFAOYSA-N
XLogP2.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~5~-(2-chlorobenzyl)-1-phenyl-1H-1,2,4-triazole-3,5-diamine
CID 8071206
N-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine
CID 11508020
1-(2,3-dichlorophenyl)-N-[(1R)-1-phenylethyl]tetrazol-5-amine
CID 11537311
2-[[[1-(2,3-Dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile
CID 11544727
1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine
CID 11652890
N-benzyl-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine
CID 44453843
1-(2,3-dichlorophenyl)-N-[(3-fluorophenyl)methyl]tetrazol-5-amine
CID 54580660
N-[(3-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
CID 54580661
1-(2,3-dichlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
CID 54580681
1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine
CID 54580682
1-(2,3-dichlorophenyl)-N-(2-methylphenyl)tetrazol-5-amine
CID 54581673
1-(2,3-dichlorophenyl)-N-[[2-(dimethylamino)phenyl]methyl]tetrazol-5-amine
CID 54582658

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-phenyltetrazol-5-amine (CID 2499898) is N-[(3-chlorophenyl)methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-phenyltetrazol-5-amine is Clc1cccc(CNc2nnnn2-c2ccccc2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-phenyltetrazol-5-amine?
The InChIKey is FYHSQIKEGGXVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c15-12-6-4-5-11(9-12)10-16-14-17-18-19-20(14)13-7-2-1-3-8-13/h1-9H,10H2,(H,16,17,19).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-phenyltetrazol-5-amine?
N-[(3-chlorophenyl)methyl]-1-phenyltetrazol-5-amine has a molecular weight of 285.74 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 2499898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).