3-(2-phenyltriazol-4-yl)-N-propylprop-2-en-1-amine

C14H18N4 — CID 79347145

IUPAC3-(2-phenyltriazol-4-yl)-N-propylprop-2-en-1-amine
SMILESCCCNCC=Cc1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H18N4/c1-2-10-15-11-6-7-13-12-16-18(17-13)14-8-4-3-5-9-14/h3-9,12,15H,2,10-11H2,1H3
InChIKeyMNKAHFSPKVFENQ-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.28
Rot. Bonds6

About 3-(2-phenyltriazol-4-yl)-N-propylprop-2-en-1-amine

3-(2-phenyltriazol-4-yl)-N-propylprop-2-en-1-amine (PubChem CID 79347145) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-(2-phenyltriazol-4-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(2-phenyltriazol-4-yl)-N-propylprop-2-en-1-amine
PubChem CID79347145
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name3-(2-phenyltriazol-4-yl)-N-propylprop-2-en-1-amine
SMILESCCCNCC=Cc1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H18N4/c1-2-10-15-11-6-7-13-12-16-18(17-13)14-8-4-3-5-9-14/h3-9,12,15H,2,10-11H2,1H3
InChIKeyMNKAHFSPKVFENQ-UHFFFAOYSA-N
XLogP2.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyltriazol-4-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of 3-(2-phenyltriazol-4-yl)-N-propylprop-2-en-1-amine (CID 79347145) is 3-(2-phenyltriazol-4-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 3-(2-phenyltriazol-4-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 3-(2-phenyltriazol-4-yl)-N-propylprop-2-en-1-amine is CCCNCC=Cc1cnn(-c2ccccc2)n1.
What is the InChIKey of 3-(2-phenyltriazol-4-yl)-N-propylprop-2-en-1-amine?
The InChIKey is MNKAHFSPKVFENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-10-15-11-6-7-13-12-16-18(17-13)14-8-4-3-5-9-14/h3-9,12,15H,2,10-11H2,1H3.
What are the key properties of 3-(2-phenyltriazol-4-yl)-N-propylprop-2-en-1-amine?
3-(2-phenyltriazol-4-yl)-N-propylprop-2-en-1-amine has a molecular weight of 242.33 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyltriazol-4-yl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 79347145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).