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

C14H10Cl3N5 — CID 54580661

IUPACN-[(3-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
SMILESClc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H10Cl3N5/c15-10-4-1-3-9(7-10)8-18-14-19-20-21-22(14)12-6-2-5-11(16)13(12)17/h1-7H,8H2,(H,18,19,21)
InChIKeyUSECREWYEYRWLA-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.23
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine (PubChem CID 54580661) has the molecular formula C14H10Cl3N5 and a molecular weight of 354.63 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
PubChem CID54580661
Molecular FormulaC14H10Cl3N5
Molecular Weight354.63 g/mol
Exact Mass353.00
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
SMILESClc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H10Cl3N5/c15-10-4-1-3-9(7-10)8-18-14-19-20-21-22(14)12-6-2-5-11(16)13(12)17/h1-7H,8H2,(H,18,19,21)
InChIKeyUSECREWYEYRWLA-UHFFFAOYSA-N
XLogP4.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine (CID 54580661) is N-[(3-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine is Clc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine?
The InChIKey is USECREWYEYRWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N5/c15-10-4-1-3-9(7-10)8-18-14-19-20-21-22(14)12-6-2-5-11(16)13(12)17/h1-7H,8H2,(H,18,19,21).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine?
N-[(3-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine has a molecular weight of 354.63 g/mol, XLogP of 4.23, 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-(2,3-dichlorophenyl)tetrazol-5-amine is sourced from PubChem (CID 54580661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).