1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine

C14H9Cl2F2N5 — CID 54580682

IUPAC1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine
SMILESFc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1F
InChIInChI=1S/C14H9Cl2F2N5/c15-9-4-2-6-11(12(9)16)23-14(20-21-22-23)19-7-8-3-1-5-10(17)13(8)18/h1-6H,7H2,(H,19,20,22)
InChIKeyOTEKITPNFHRZGC-UHFFFAOYSA-N
MW356.16 g/mol
LogP3.86
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine

1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine (PubChem CID 54580682) has the molecular formula C14H9Cl2F2N5 and a molecular weight of 356.16 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine
PubChem CID54580682
Molecular FormulaC14H9Cl2F2N5
Molecular Weight356.16 g/mol
Exact Mass355.02
IUPAC Name1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine
SMILESFc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1F
InChIInChI=1S/C14H9Cl2F2N5/c15-9-4-2-6-11(12(9)16)23-14(20-21-22-23)19-7-8-3-1-5-10(17)13(8)18/h1-6H,7H2,(H,19,20,22)
InChIKeyOTEKITPNFHRZGC-UHFFFAOYSA-N
XLogP3.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.16
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-[(2-chlorophenyl)methyl]-1-phenyl-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-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine
CID 11509663
1-(2,3-dichlorophenyl)-N-[2-(methylthio)benzyl]-1H-tetrazol-5-amine
CID 11523472
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
1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine
CID 11709955
2-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-triazol-3-amine
CID 44453839
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine (CID 54580682) is 1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine is Fc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1F.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine?
The InChIKey is OTEKITPNFHRZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F2N5/c15-9-4-2-6-11(12(9)16)23-14(20-21-22-23)19-7-8-3-1-5-10(17)13(8)18/h1-6H,7H2,(H,19,20,22).
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine?
1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine has a molecular weight of 356.16 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[(2,3-difluorophenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 54580682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).