N-[(2-chloro-6-methylphenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine

C15H12Cl3N5 — CID 68582363

IUPACN-[(2-chloro-6-methylphenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
SMILESCc1cccc(Cl)c1CNc1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl3N5/c1-9-4-2-5-11(16)10(9)8-19-15-20-21-22-23(15)13-7-3-6-12(17)14(13)18/h2-7H,8H2,1H3,(H,19,20,22)
InChIKeyGSRSCEMXDXCSQQ-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.54
Rot. Bonds4

About N-[(2-chloro-6-methylphenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine

N-[(2-chloro-6-methylphenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine (PubChem CID 68582363) has the molecular formula C15H12Cl3N5 and a molecular weight of 368.66 g/mol. Its IUPAC name is N-[(2-chloro-6-methylphenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methylphenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
PubChem CID68582363
Molecular FormulaC15H12Cl3N5
Molecular Weight368.66 g/mol
Exact Mass367.02
IUPAC NameN-[(2-chloro-6-methylphenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
SMILESCc1cccc(Cl)c1CNc1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl3N5/c1-9-4-2-5-11(16)10(9)8-19-15-20-21-22-23(15)13-7-3-6-12(17)14(13)18/h2-7H,8H2,1H3,(H,19,20,22)
InChIKeyGSRSCEMXDXCSQQ-UHFFFAOYSA-N
XLogP4.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine?
The IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine (CID 68582363) is N-[(2-chloro-6-methylphenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine.
What is the SMILES notation for N-[(2-chloro-6-methylphenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine?
The canonical SMILES for N-[(2-chloro-6-methylphenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine is Cc1cccc(Cl)c1CNc1nnnn1-c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2-chloro-6-methylphenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine?
The InChIKey is GSRSCEMXDXCSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N5/c1-9-4-2-5-11(16)10(9)8-19-15-20-21-22-23(15)13-7-3-6-12(17)14(13)18/h2-7H,8H2,1H3,(H,19,20,22).
What are the key properties of N-[(2-chloro-6-methylphenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine?
N-[(2-chloro-6-methylphenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine has a molecular weight of 368.66 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylphenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine is sourced from PubChem (CID 68582363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).