1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine

C13H18N4 — CID 107431554

IUPAC1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine
SMILESCCc1c(C(N)CC)nnn1-c1ccccc1
InChIInChI=1S/C13H18N4/c1-3-11(14)13-12(4-2)17(16-15-13)10-8-6-5-7-9-10/h5-9,11H,3-4,14H2,1-2H3
InChIKeyBQUYKSFYGXRSGE-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.24
Rot. Bonds4

About 1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine

1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine (PubChem CID 107431554) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine
PubChem CID107431554
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine
SMILESCCc1c(C(N)CC)nnn1-c1ccccc1
InChIInChI=1S/C13H18N4/c1-3-11(14)13-12(4-2)17(16-15-13)10-8-6-5-7-9-10/h5-9,11H,3-4,14H2,1-2H3
InChIKeyBQUYKSFYGXRSGE-UHFFFAOYSA-N
XLogP2.24
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-chlorophenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107431508
1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine
CID 107431517
1-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107431480
1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine
CID 107431509
1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine
CID 107431443
1-[1-(3,5-dichloro-4-fluorophenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107577515
1-[5-ethyl-1-(2,3,5-trifluorophenyl)triazol-4-yl]propan-1-amine
CID 107431682
1-[1-(2-bromo-4,6-dimethylphenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107431741
1-[1-(4-bromo-5-fluoro-2-methylphenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107431765
1-[1-(5-bromo-4-fluoro-2-methylphenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107593569
1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 107431439
1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine
CID 107431483

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine?
The IUPAC name of 1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine (CID 107431554) is 1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine is CCc1c(C(N)CC)nnn1-c1ccccc1.
What is the InChIKey of 1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine?
The InChIKey is BQUYKSFYGXRSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-11(14)13-12(4-2)17(16-15-13)10-8-6-5-7-9-10/h5-9,11H,3-4,14H2,1-2H3.
What are the key properties of 1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine?
1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 107431554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).