N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine

C11H14ClN5 — CID 63392081

IUPACN-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine
SMILESCCN(CCCl)c1nnnn1-c1ccccc1
InChIInChI=1S/C11H14ClN5/c1-2-16(9-8-12)11-13-14-15-17(11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyKFKWXPJGIZAQFY-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.73
Rot. Bonds5

About N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine

N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine (PubChem CID 63392081) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine
PubChem CID63392081
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC NameN-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine
SMILESCCN(CCCl)c1nnnn1-c1ccccc1
InChIInChI=1S/C11H14ClN5/c1-2-16(9-8-12)11-13-14-15-17(11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyKFKWXPJGIZAQFY-UHFFFAOYSA-N
XLogP1.73
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-1-phenyl-N-propyltetrazol-5-amine
CID 55184250
3-[ethyl-(1-phenyltetrazol-5-yl)amino]propanethioamide
CID 54992501
1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol
CID 79389793
N-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine
CID 63388458
N-(2-bromoethyl)-N-pentan-3-yl-1-phenyltetrazol-5-amine
CID 80680534
N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine
CID 55090772
N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195387
N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195075
1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 62333734
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 131949894
1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine
CID 63760949
N-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine
CID 102637752

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine (CID 63392081) is N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine is CCN(CCCl)c1nnnn1-c1ccccc1.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine?
The InChIKey is KFKWXPJGIZAQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-2-16(9-8-12)11-13-14-15-17(11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine?
N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine has a molecular weight of 251.72 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine is sourced from PubChem (CID 63392081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).