5-heptadec-1-enyl-1H-1,2,4-triazole

C19H35N3 — CID 130199832

IUPAC5-heptadec-1-enyl-1H-1,2,4-triazole
SMILESCCCCCCCCCCCCCCCC=Cc1ncn[nH]1
InChIInChI=1S/C19H35N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-21-22-19/h16-18H,2-15H2,1H3,(H,20,21,22)
InChIKeySFFBHTOGQHOWGL-UHFFFAOYSA-N
MW305.51 g/mol
LogP6.30
Rot. Bonds15

About 5-heptadec-1-enyl-1H-1,2,4-triazole

5-heptadec-1-enyl-1H-1,2,4-triazole (PubChem CID 130199832) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is 5-heptadec-1-enyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-heptadec-1-enyl-1H-1,2,4-triazole
PubChem CID130199832
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name5-heptadec-1-enyl-1H-1,2,4-triazole
SMILESCCCCCCCCCCCCCCCC=Cc1ncn[nH]1
InChIInChI=1S/C19H35N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-21-22-19/h16-18H,2-15H2,1H3,(H,20,21,22)
InChIKeySFFBHTOGQHOWGL-UHFFFAOYSA-N
XLogP6.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-heptadec-1-enyl-1H-1,2,4-triazole?
The IUPAC name of 5-heptadec-1-enyl-1H-1,2,4-triazole (CID 130199832) is 5-heptadec-1-enyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-heptadec-1-enyl-1H-1,2,4-triazole?
The canonical SMILES for 5-heptadec-1-enyl-1H-1,2,4-triazole is CCCCCCCCCCCCCCCC=Cc1ncn[nH]1.
What is the InChIKey of 5-heptadec-1-enyl-1H-1,2,4-triazole?
The InChIKey is SFFBHTOGQHOWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-21-22-19/h16-18H,2-15H2,1H3,(H,20,21,22).
What are the key properties of 5-heptadec-1-enyl-1H-1,2,4-triazole?
5-heptadec-1-enyl-1H-1,2,4-triazole has a molecular weight of 305.51 g/mol, XLogP of 6.30, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptadec-1-enyl-1H-1,2,4-triazole is sourced from PubChem (CID 130199832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).