3-cyclopropyl-1-(3-methylbuta-1,3-dien-2-yl)-5-prop-1-en-2-yl-1,2,4-triazole;ethene

C15H21N3 — CID 170968344

IUPAC3-cyclopropyl-1-(3-methylbuta-1,3-dien-2-yl)-5-prop-1-en-2-yl-1,2,4-triazole;ethene
SMILESC=C.C=C(C)C(=C)n1nc(C2CC2)nc1C(=C)C
InChIInChI=1S/C13H17N3.C2H4/c1-8(2)10(5)16-13(9(3)4)14-12(15-16)11-6-7-11;1-2/h11H,1,3,5-7H2,2,4H3;1-2H2
InChIKeyKSOLPJCOJPGWHS-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.04
Rot. Bonds4

About 3-cyclopropyl-1-(3-methylbuta-1,3-dien-2-yl)-5-prop-1-en-2-yl-1,2,4-triazole;ethene

3-cyclopropyl-1-(3-methylbuta-1,3-dien-2-yl)-5-prop-1-en-2-yl-1,2,4-triazole;ethene (PubChem CID 170968344) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-methylbuta-1,3-dien-2-yl)-5-prop-1-en-2-yl-1,2,4-triazole;ethene.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-methylbuta-1,3-dien-2-yl)-5-prop-1-en-2-yl-1,2,4-triazole;ethene
PubChem CID170968344
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-cyclopropyl-1-(3-methylbuta-1,3-dien-2-yl)-5-prop-1-en-2-yl-1,2,4-triazole;ethene
SMILESC=C.C=C(C)C(=C)n1nc(C2CC2)nc1C(=C)C
InChIInChI=1S/C13H17N3.C2H4/c1-8(2)10(5)16-13(9(3)4)14-12(15-16)11-6-7-11;1-2/h11H,1,3,5-7H2,2,4H3;1-2H2
InChIKeyKSOLPJCOJPGWHS-UHFFFAOYSA-N
XLogP4.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Methylcyclopropyl)-1,5-bis(prop-1-en-2-yl)-1,2,4-triazole
CID 144465728
N-(1-cyclopropylethenyl)-5-ethenyl-1-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]-1,2,4-triazol-3-amine
CID 167104445
3-Cyclopropyl-1-(3-methylbuta-1,3-dien-2-yl)-5-prop-1-en-2-yl-1,2,4-triazole
CID 170968345

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-methylbuta-1,3-dien-2-yl)-5-prop-1-en-2-yl-1,2,4-triazole;ethene?
The IUPAC name of 3-cyclopropyl-1-(3-methylbuta-1,3-dien-2-yl)-5-prop-1-en-2-yl-1,2,4-triazole;ethene (CID 170968344) is 3-cyclopropyl-1-(3-methylbuta-1,3-dien-2-yl)-5-prop-1-en-2-yl-1,2,4-triazole;ethene.
What is the SMILES notation for 3-cyclopropyl-1-(3-methylbuta-1,3-dien-2-yl)-5-prop-1-en-2-yl-1,2,4-triazole;ethene?
The canonical SMILES for 3-cyclopropyl-1-(3-methylbuta-1,3-dien-2-yl)-5-prop-1-en-2-yl-1,2,4-triazole;ethene is C=C.C=C(C)C(=C)n1nc(C2CC2)nc1C(=C)C.
What is the InChIKey of 3-cyclopropyl-1-(3-methylbuta-1,3-dien-2-yl)-5-prop-1-en-2-yl-1,2,4-triazole;ethene?
The InChIKey is KSOLPJCOJPGWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.C2H4/c1-8(2)10(5)16-13(9(3)4)14-12(15-16)11-6-7-11;1-2/h11H,1,3,5-7H2,2,4H3;1-2H2.
What are the key properties of 3-cyclopropyl-1-(3-methylbuta-1,3-dien-2-yl)-5-prop-1-en-2-yl-1,2,4-triazole;ethene?
3-cyclopropyl-1-(3-methylbuta-1,3-dien-2-yl)-5-prop-1-en-2-yl-1,2,4-triazole;ethene has a molecular weight of 243.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-methylbuta-1,3-dien-2-yl)-5-prop-1-en-2-yl-1,2,4-triazole;ethene is sourced from PubChem (CID 170968344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).