N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine

C12H14ClN5 — CID 62735968

IUPACN-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
SMILESClc1cccc(Cn2nnnc2CNC2CC2)c1
InChIInChI=1S/C12H14ClN5/c13-10-3-1-2-9(6-10)8-18-12(15-16-17-18)7-14-11-4-5-11/h1-3,6,11,14H,4-5,7-8H2
InChIKeyWQBVXSZOUXRIHI-UHFFFAOYSA-N
MW263.73 g/mol
LogP1.63
Rot. Bonds5

About N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 62735968) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID62735968
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC NameN-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
SMILESClc1cccc(Cn2nnnc2CNC2CC2)c1
InChIInChI=1S/C12H14ClN5/c13-10-3-1-2-9(6-10)8-18-12(15-16-17-18)7-14-11-4-5-11/h1-3,6,11,14H,4-5,7-8H2
InChIKeyWQBVXSZOUXRIHI-UHFFFAOYSA-N
XLogP1.63
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine 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-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 62735977
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 24715477
N-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193798
N-[[1-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 62763500
N-[[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43648043
5-bromo-1-[(3-chlorophenyl)methyl]tetrazole
CID 82093565
N-[[3-[(3-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66151383
N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737390
N-[[1-(2,2-dimethylpropyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62761510
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113267753
N-[[1-[2-[(3-chlorophenyl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 65125840

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine (CID 62735968) is N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine is Clc1cccc(Cn2nnnc2CNC2CC2)c1.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is WQBVXSZOUXRIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c13-10-3-1-2-9(6-10)8-18-12(15-16-17-18)7-14-11-4-5-11/h1-3,6,11,14H,4-5,7-8H2.
What are the key properties of N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 263.73 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62735968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).