3-pentyl-5-propyl-1,2-dihydrotriazole

C10H21N3 — CID 89423625

IUPAC3-pentyl-5-propyl-1,2-dihydrotriazole
SMILESCCCCCN1C=C(CCC)NN1
InChIInChI=1S/C10H21N3/c1-3-5-6-8-13-9-10(7-4-2)11-12-13/h9,11-12H,3-8H2,1-2H3
InChIKeyOQWFYKZKADRMAB-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.14
Rot. Bonds6

About 3-pentyl-5-propyl-1,2-dihydrotriazole

3-pentyl-5-propyl-1,2-dihydrotriazole (PubChem CID 89423625) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 3-pentyl-5-propyl-1,2-dihydrotriazole.

Molecular Properties

Compound Name3-pentyl-5-propyl-1,2-dihydrotriazole
PubChem CID89423625
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name3-pentyl-5-propyl-1,2-dihydrotriazole
SMILESCCCCCN1C=C(CCC)NN1
InChIInChI=1S/C10H21N3/c1-3-5-6-8-13-9-10(7-4-2)11-12-13/h9,11-12H,3-8H2,1-2H3
InChIKeyOQWFYKZKADRMAB-UHFFFAOYSA-N
XLogP2.14
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-pentyl-5-propyl-1,2-dihydrotriazole?
The IUPAC name of 3-pentyl-5-propyl-1,2-dihydrotriazole (CID 89423625) is 3-pentyl-5-propyl-1,2-dihydrotriazole.
What is the SMILES notation for 3-pentyl-5-propyl-1,2-dihydrotriazole?
The canonical SMILES for 3-pentyl-5-propyl-1,2-dihydrotriazole is CCCCCN1C=C(CCC)NN1.
What is the InChIKey of 3-pentyl-5-propyl-1,2-dihydrotriazole?
The InChIKey is OQWFYKZKADRMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-5-6-8-13-9-10(7-4-2)11-12-13/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 3-pentyl-5-propyl-1,2-dihydrotriazole?
3-pentyl-5-propyl-1,2-dihydrotriazole has a molecular weight of 183.30 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-5-propyl-1,2-dihydrotriazole is sourced from PubChem (CID 89423625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).