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

C14H10Cl3N5 — CID 54585546

IUPACN-[(2-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
SMILESClc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl3N5/c15-10-5-2-1-4-9(10)8-18-14-19-20-21-22(14)12-7-3-6-11(16)13(12)17/h1-7H,8H2,(H,18,19,21)
InChIKeyILMOSFWQTVSMOP-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.23
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine (PubChem CID 54585546) has the molecular formula C14H10Cl3N5 and a molecular weight of 354.63 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
PubChem CID54585546
Molecular FormulaC14H10Cl3N5
Molecular Weight354.63 g/mol
Exact Mass353.00
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
SMILESClc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl3N5/c15-10-5-2-1-4-9(10)8-18-14-19-20-21-22(14)12-7-3-6-11(16)13(12)17/h1-7H,8H2,(H,18,19,21)
InChIKeyILMOSFWQTVSMOP-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-[(2-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine (CID 54585546) is N-[(2-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine is Clc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine?
The InChIKey is ILMOSFWQTVSMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N5/c15-10-5-2-1-4-9(10)8-18-14-19-20-21-22(14)12-7-3-6-11(16)13(12)17/h1-7H,8H2,(H,18,19,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine?
N-[(2-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-[(2-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine is sourced from PubChem (CID 54585546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).