1-(7-phenylheptyl)triazole

C15H21N3 — CID 139593734

IUPAC1-(7-phenylheptyl)triazole
SMILESc1ccc(CCCCCCCn2ccnn2)cc1
InChIInChI=1S/C15H21N3/c1(3-8-13-18-14-12-16-17-18)2-5-9-15-10-6-4-7-11-15/h4,6-7,10-12,14H,1-3,5,8-9,13H2
InChIKeyAMIVQQRSTCNXLR-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.47
Rot. Bonds8

About 1-(7-phenylheptyl)triazole

1-(7-phenylheptyl)triazole (PubChem CID 139593734) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(7-phenylheptyl)triazole.

Molecular Properties

Compound Name1-(7-phenylheptyl)triazole
PubChem CID139593734
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(7-phenylheptyl)triazole
SMILESc1ccc(CCCCCCCn2ccnn2)cc1
InChIInChI=1S/C15H21N3/c1(3-8-13-18-14-12-16-17-18)2-5-9-15-10-6-4-7-11-15/h4,6-7,10-12,14H,1-3,5,8-9,13H2
InChIKeyAMIVQQRSTCNXLR-UHFFFAOYSA-N
XLogP3.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1H-1,2,3-Triazol-1-yl)methyl]benzonitrile
CID 14196997
(2R)-4-(triazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 149501863
1-Benzhydryltriazole
CID 23220724
1-Benzyl-4-hexyl-triazole
CID 54772019
1-[(Z)-2,3-diphenylprop-2-enyl]triazole
CID 155512683
1-[(E)-2,3-diphenylprop-2-enyl]triazole
CID 155524316
1-(2,3-Diphenylpropyl)triazole
CID 155562191
1-Benzyl-1,2,3-triazole
CID 138203
1-Azolyl-4-phenyl-2-butanone, 8
CID 25141501
1-Benzyl-4-bromo-1h-1,2,3-triazole
CID 13973357
1-(Cyclohexylmethyl)-4-phenethyl-triazole
CID 56666793
1-Dodecyl-4-phenethyl-triazole
CID 56666794

Frequently Asked Questions

What is the IUPAC name of 1-(7-phenylheptyl)triazole?
The IUPAC name of 1-(7-phenylheptyl)triazole (CID 139593734) is 1-(7-phenylheptyl)triazole.
What is the SMILES notation for 1-(7-phenylheptyl)triazole?
The canonical SMILES for 1-(7-phenylheptyl)triazole is c1ccc(CCCCCCCn2ccnn2)cc1.
What is the InChIKey of 1-(7-phenylheptyl)triazole?
The InChIKey is AMIVQQRSTCNXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1(3-8-13-18-14-12-16-17-18)2-5-9-15-10-6-4-7-11-15/h4,6-7,10-12,14H,1-3,5,8-9,13H2.
What are the key properties of 1-(7-phenylheptyl)triazole?
1-(7-phenylheptyl)triazole has a molecular weight of 243.35 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-phenylheptyl)triazole is sourced from PubChem (CID 139593734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).