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

C15H13Cl2N5 — CID 11652890

IUPAC1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]tetrazol-5-amine
SMILESCc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2N5/c1-10-5-2-3-6-11(10)9-18-15-19-20-21-22(15)13-8-4-7-12(16)14(13)17/h2-8H,9H2,1H3,(H,18,19,21)
InChIKeyXWSYNDMQNWWNGQ-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.89
Rot. Bonds4

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

1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]tetrazol-5-amine (PubChem CID 11652890) has the molecular formula C15H13Cl2N5 and a molecular weight of 334.21 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]tetrazol-5-amine
PubChem CID11652890
Molecular FormulaC15H13Cl2N5
Molecular Weight334.21 g/mol
Exact Mass333.05
IUPAC Name1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]tetrazol-5-amine
SMILESCc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2N5/c1-10-5-2-3-6-11(10)9-18-15-19-20-21-22(15)13-8-4-7-12(16)14(13)17/h2-8H,9H2,1H3,(H,18,19,21)
InChIKeyXWSYNDMQNWWNGQ-UHFFFAOYSA-N
XLogP3.89
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(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-[(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-[2-(methylsulfonyl)benzyl]-1H-tetraazol-5-amine
CID 53249126
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]tetrazol-5-amine (CID 11652890) is 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]tetrazol-5-amine is Cc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]tetrazol-5-amine?
The InChIKey is XWSYNDMQNWWNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5/c1-10-5-2-3-6-11(10)9-18-15-19-20-21-22(15)13-8-4-7-12(16)14(13)17/h2-8H,9H2,1H3,(H,18,19,21).
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]tetrazol-5-amine?
1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]tetrazol-5-amine has a molecular weight of 334.21 g/mol, XLogP of 3.89, 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-methylphenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 11652890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).