N-benzyl-1-(2,3-dichlorophenyl)-N-methyltetrazol-5-amine

C15H13Cl2N5 — CID 54582682

IUPACN-benzyl-1-(2,3-dichlorophenyl)-N-methyltetrazol-5-amine
SMILESCN(Cc1ccccc1)c1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2N5/c1-21(10-11-6-3-2-4-7-11)15-18-19-20-22(15)13-9-5-8-12(16)14(13)17/h2-9H,10H2,1H3
InChIKeyAADDZOJHWIKRHN-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.61
Rot. Bonds4

About N-benzyl-1-(2,3-dichlorophenyl)-N-methyltetrazol-5-amine

N-benzyl-1-(2,3-dichlorophenyl)-N-methyltetrazol-5-amine (PubChem CID 54582682) has the molecular formula C15H13Cl2N5 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-benzyl-1-(2,3-dichlorophenyl)-N-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-benzyl-1-(2,3-dichlorophenyl)-N-methyltetrazol-5-amine
PubChem CID54582682
Molecular FormulaC15H13Cl2N5
Molecular Weight334.21 g/mol
Exact Mass333.05
IUPAC NameN-benzyl-1-(2,3-dichlorophenyl)-N-methyltetrazol-5-amine
SMILESCN(Cc1ccccc1)c1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2N5/c1-21(10-11-6-3-2-4-7-11)15-18-19-20-22(15)13-9-5-8-12(16)14(13)17/h2-9H,10H2,1H3
InChIKeyAADDZOJHWIKRHN-UHFFFAOYSA-N
XLogP3.61
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,3-dichlorophenyl)-N-methyltetrazol-5-amine?
The IUPAC name of N-benzyl-1-(2,3-dichlorophenyl)-N-methyltetrazol-5-amine (CID 54582682) is N-benzyl-1-(2,3-dichlorophenyl)-N-methyltetrazol-5-amine.
What is the SMILES notation for N-benzyl-1-(2,3-dichlorophenyl)-N-methyltetrazol-5-amine?
The canonical SMILES for N-benzyl-1-(2,3-dichlorophenyl)-N-methyltetrazol-5-amine is CN(Cc1ccccc1)c1nnnn1-c1cccc(Cl)c1Cl.
What is the InChIKey of N-benzyl-1-(2,3-dichlorophenyl)-N-methyltetrazol-5-amine?
The InChIKey is AADDZOJHWIKRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5/c1-21(10-11-6-3-2-4-7-11)15-18-19-20-22(15)13-9-5-8-12(16)14(13)17/h2-9H,10H2,1H3.
What are the key properties of N-benzyl-1-(2,3-dichlorophenyl)-N-methyltetrazol-5-amine?
N-benzyl-1-(2,3-dichlorophenyl)-N-methyltetrazol-5-amine has a molecular weight of 334.21 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,3-dichlorophenyl)-N-methyltetrazol-5-amine is sourced from PubChem (CID 54582682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).