4-pentyl-5-prop-2-enyltriazine

C11H17N3 — CID 68573903

IUPAC4-pentyl-5-prop-2-enyltriazine
SMILESC=CCc1cnnnc1CCCCC
InChIInChI=1S/C11H17N3/c1-3-5-6-8-11-10(7-4-2)9-12-14-13-11/h4,9H,2-3,5-8H2,1H3
InChIKeyKPHBGGHRCJGNNZ-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.33
Rot. Bonds6

About 4-pentyl-5-prop-2-enyltriazine

4-pentyl-5-prop-2-enyltriazine (PubChem CID 68573903) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-pentyl-5-prop-2-enyltriazine.

Molecular Properties

Compound Name4-pentyl-5-prop-2-enyltriazine
PubChem CID68573903
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-pentyl-5-prop-2-enyltriazine
SMILESC=CCc1cnnnc1CCCCC
InChIInChI=1S/C11H17N3/c1-3-5-6-8-11-10(7-4-2)9-12-14-13-11/h4,9H,2-3,5-8H2,1H3
InChIKeyKPHBGGHRCJGNNZ-UHFFFAOYSA-N
XLogP2.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-5-prop-2-enyltriazine?
The IUPAC name of 4-pentyl-5-prop-2-enyltriazine (CID 68573903) is 4-pentyl-5-prop-2-enyltriazine.
What is the SMILES notation for 4-pentyl-5-prop-2-enyltriazine?
The canonical SMILES for 4-pentyl-5-prop-2-enyltriazine is C=CCc1cnnnc1CCCCC.
What is the InChIKey of 4-pentyl-5-prop-2-enyltriazine?
The InChIKey is KPHBGGHRCJGNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-5-6-8-11-10(7-4-2)9-12-14-13-11/h4,9H,2-3,5-8H2,1H3.
What are the key properties of 4-pentyl-5-prop-2-enyltriazine?
4-pentyl-5-prop-2-enyltriazine has a molecular weight of 191.28 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-5-prop-2-enyltriazine is sourced from PubChem (CID 68573903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).