N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine

C15H20N4 — CID 66194177

IUPACN-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCCc1ccc(Cn2cc(CNC3CC3)nn2)cc1
InChIInChI=1S/C15H20N4/c1-2-12-3-5-13(6-4-12)10-19-11-15(17-18-19)9-16-14-7-8-14/h3-6,11,14,16H,2,7-10H2,1H3
InChIKeyBYIZIVBETUHHGR-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.14
Rot. Bonds6

About N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66194177) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID66194177
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCCc1ccc(Cn2cc(CNC3CC3)nn2)cc1
InChIInChI=1S/C15H20N4/c1-2-12-3-5-13(6-4-12)10-19-11-15(17-18-19)9-16-14-7-8-14/h3-6,11,14,16H,2,7-10H2,1H3
InChIKeyBYIZIVBETUHHGR-UHFFFAOYSA-N
XLogP2.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(4-ethylphenyl)methyl]triazol-4-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-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410
N-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193798
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66192057
N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193219
N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66192616
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
4-(2-chloroethyl)-1-[(4-ethylphenyl)methyl]triazole
CID 62401767
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194558
N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192447
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193207
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193225
N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66194383

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine (CID 66194177) is N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine is CCc1ccc(Cn2cc(CNC3CC3)nn2)cc1.
What is the InChIKey of N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is BYIZIVBETUHHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-12-3-5-13(6-4-12)10-19-11-15(17-18-19)9-16-14-7-8-14/h3-6,11,14,16H,2,7-10H2,1H3.
What are the key properties of N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 256.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66194177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).