4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine

C17H26N4 — CID 114690410

IUPAC4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine
SMILESCCCNC(CCc1cnnn1-c1ccccc1)C(C)C
InChIInChI=1S/C17H26N4/c1-4-12-18-17(14(2)3)11-10-16-13-19-20-21(16)15-8-6-5-7-9-15/h5-9,13-14,17-18H,4,10-12H2,1-3H3
InChIKeyWKDQEVPKLPXHIH-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.22
Rot. Bonds8

About 4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine

4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine (PubChem CID 114690410) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine
PubChem CID114690410
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine
SMILESCCCNC(CCc1cnnn1-c1ccccc1)C(C)C
InChIInChI=1S/C17H26N4/c1-4-12-18-17(14(2)3)11-10-16-13-19-20-21(16)15-8-6-5-7-9-15/h5-9,13-14,17-18H,4,10-12H2,1-3H3
InChIKeyWKDQEVPKLPXHIH-UHFFFAOYSA-N
XLogP3.22
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-4-methylpentyl)-1-phenyltriazole
CID 114690591
5-(3-bromobutyl)-1-phenyltriazole
CID 114690605
1-(3-phenyltriazol-4-yl)pentan-3-ol
CID 114690535
N-[(3-phenyltriazol-4-yl)methyl]propan-1-amine
CID 114687766
5-(3-bromo-4,4-dimethylpentyl)-1-phenyltriazole
CID 114690627
3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine
CID 63202229
5-(3-bromo-3-phenylpropyl)-1-phenyltriazole
CID 114690630
N-ethyl-4-methyl-1-(3-methyltriazol-4-yl)pentan-3-amine
CID 114690406
2-(3-phenyltriazol-4-yl)ethanol
CID 24754561
2-(3-phenyltriazol-4-yl)ethanamine
CID 82200310
2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 114690443
1-(3-phenyltriazol-4-yl)hexan-3-one
CID 114690267

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine?
The IUPAC name of 4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine (CID 114690410) is 4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine.
What is the SMILES notation for 4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine?
The canonical SMILES for 4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine is CCCNC(CCc1cnnn1-c1ccccc1)C(C)C.
What is the InChIKey of 4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine?
The InChIKey is WKDQEVPKLPXHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-12-18-17(14(2)3)11-10-16-13-19-20-21(16)15-8-6-5-7-9-15/h5-9,13-14,17-18H,4,10-12H2,1-3H3.
What are the key properties of 4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine?
4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine has a molecular weight of 286.42 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine is sourced from PubChem (CID 114690410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).