3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine

C15H20N4 — CID 115639415

IUPAC3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine
SMILESc1ccc(-n2ncc(CNCCCC3CC3)n2)cc1
InChIInChI=1S/C15H20N4/c1-2-6-15(7-3-1)19-17-12-14(18-19)11-16-10-4-5-13-8-9-13/h1-3,6-7,12-13,16H,4-5,8-11H2
InChIKeyIAYXYENSUOVXPZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.55
Rot. Bonds7

About 3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine

3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 115639415) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine
PubChem CID115639415
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine
SMILESc1ccc(-n2ncc(CNCCCC3CC3)n2)cc1
InChIInChI=1S/C15H20N4/c1-2-6-15(7-3-1)19-17-12-14(18-19)11-16-10-4-5-13-8-9-13/h1-3,6-7,12-13,16H,4-5,8-11H2
InChIKeyIAYXYENSUOVXPZ-UHFFFAOYSA-N
XLogP2.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.55
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-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine (CID 115639415) is 3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine is c1ccc(-n2ncc(CNCCCC3CC3)n2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is IAYXYENSUOVXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-6-15(7-3-1)19-17-12-14(18-19)11-16-10-4-5-13-8-9-13/h1-3,6-7,12-13,16H,4-5,8-11H2.
What are the key properties of 3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine?
3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115639415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).