2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine

C17H24N4 — CID 105043321

IUPAC2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1cnnn1-c1ccccc1)C(C)C1CC1
InChIInChI=1S/C17H24N4/c1-3-11-18-17(13(2)14-9-10-14)16-12-19-20-21(16)15-7-5-4-6-8-15/h4-8,12-14,17-18H,3,9-11H2,1-2H3
InChIKeyAVSDTBVRBJIUBS-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.35
Rot. Bonds7

About 2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine

2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine (PubChem CID 105043321) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine
PubChem CID105043321
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1cnnn1-c1ccccc1)C(C)C1CC1
InChIInChI=1S/C17H24N4/c1-3-11-18-17(13(2)14-9-10-14)16-12-19-20-21(16)15-7-5-4-6-8-15/h4-8,12-14,17-18H,3,9-11H2,1-2H3
InChIKeyAVSDTBVRBJIUBS-UHFFFAOYSA-N
XLogP3.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-phenyltriazol-4-yl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105184397
N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687204
2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038639
cyclopropyl-(3-phenyltriazol-4-yl)methanamine
CID 114687020
4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine
CID 114690410
1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83149935
N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114688705
2-cyclopropyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 83155270
2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 103517148
2-cyclopropyl-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 115860641
1-(3-phenyltriazol-4-yl)butylhydrazine
CID 105202328
N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923869

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine (CID 105043321) is 2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine is CCCNC(c1cnnn1-c1ccccc1)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is AVSDTBVRBJIUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-11-18-17(13(2)14-9-10-14)16-12-19-20-21(16)15-7-5-4-6-8-15/h4-8,12-14,17-18H,3,9-11H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine?
2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 284.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 105043321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).