N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine

C15H20N4 — CID 114688705

IUPACN-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnnn1-c1ccccc1)C1(C)CC1
InChIInChI=1S/C15H20N4/c1-3-16-14(15(2)9-10-15)13-11-17-18-19(13)12-7-5-4-6-8-12/h4-8,11,14,16H,3,9-10H2,1-2H3
InChIKeyZYRZAKOIGLDUPY-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.72
Rot. Bonds5

About N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine

N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine (PubChem CID 114688705) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine
PubChem CID114688705
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnnn1-c1ccccc1)C1(C)CC1
InChIInChI=1S/C15H20N4/c1-3-16-14(15(2)9-10-15)13-11-17-18-19(13)12-7-5-4-6-8-12/h4-8,11,14,16H,3,9-10H2,1-2H3
InChIKeyZYRZAKOIGLDUPY-UHFFFAOYSA-N
XLogP2.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine 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

[(1-methylcyclopentyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105337414
[(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 106831373
N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043879
N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687204
N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114687984
N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687752
N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923869
N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine
CID 105184380
N-[(5-bromofuran-2-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 105043281
N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 106858669
N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105184404
N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114688709

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine (CID 114688705) is N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine is CCNC(c1cnnn1-c1ccccc1)C1(C)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine?
The InChIKey is ZYRZAKOIGLDUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-16-14(15(2)9-10-15)13-11-17-18-19(13)12-7-5-4-6-8-12/h4-8,11,14,16H,3,9-10H2,1-2H3.
What are the key properties of N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine?
N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 114688705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).