5-prop-1-en-2-yl-3,4-bis(prop-2-enyl)-1,2-dihydrotriazole

C11H17N3 — CID 11321452

IUPAC5-prop-1-en-2-yl-3,4-bis(prop-2-enyl)-1,2-dihydrotriazole
SMILESC=CCC1=C(C(=C)C)NNN1CC=C
InChIInChI=1S/C11H17N3/c1-5-7-10-11(9(3)4)12-13-14(10)8-6-2/h5-6,12-13H,1-3,7-8H2,4H3
InChIKeyYGJDONURIRTOCJ-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.86
Rot. Bonds5

About 5-prop-1-en-2-yl-3,4-bis(prop-2-enyl)-1,2-dihydrotriazole

5-prop-1-en-2-yl-3,4-bis(prop-2-enyl)-1,2-dihydrotriazole (PubChem CID 11321452) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 5-prop-1-en-2-yl-3,4-bis(prop-2-enyl)-1,2-dihydrotriazole.

Molecular Properties

Compound Name5-prop-1-en-2-yl-3,4-bis(prop-2-enyl)-1,2-dihydrotriazole
PubChem CID11321452
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name5-prop-1-en-2-yl-3,4-bis(prop-2-enyl)-1,2-dihydrotriazole
SMILESC=CCC1=C(C(=C)C)NNN1CC=C
InChIInChI=1S/C11H17N3/c1-5-7-10-11(9(3)4)12-13-14(10)8-6-2/h5-6,12-13H,1-3,7-8H2,4H3
InChIKeyYGJDONURIRTOCJ-UHFFFAOYSA-N
XLogP1.86
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-methyl-5-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]-1,2-dihydrotriazole
CID 178136812
3,4-dimethyl-5-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]-1,2-dihydrotriazole;ethane
CID 178136820
ethane;3-ethyl-4-methyl-5-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]-1,2-dihydrotriazole
CID 178136839
3,4-dimethyl-5-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]-1,2-dihydrotriazole
CID 178136821
1-Propan-2-yl-2,3,6,7-tetrahydroindazole
CID 60067164
1-Ethyl-2,3,4,8-tetrahydro-1,2-benzodiazepine
CID 70003260
6-[(1Z)-buta-1,3-dienyl]-5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyridazine
CID 89468900
3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine
CID 89468902
6-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-3,4-dihydro-1H-pyridazine
CID 89518303
1,1-Bis(2-methylidenepent-3-enyl)-2-prop-2-enylhydrazine
CID 123543479
3-Methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole
CID 123632362
2-Ethylidene-3-propylidenepyrrol-1-amine
CID 123716269

Frequently Asked Questions

What is the IUPAC name of 5-prop-1-en-2-yl-3,4-bis(prop-2-enyl)-1,2-dihydrotriazole?
The IUPAC name of 5-prop-1-en-2-yl-3,4-bis(prop-2-enyl)-1,2-dihydrotriazole (CID 11321452) is 5-prop-1-en-2-yl-3,4-bis(prop-2-enyl)-1,2-dihydrotriazole.
What is the SMILES notation for 5-prop-1-en-2-yl-3,4-bis(prop-2-enyl)-1,2-dihydrotriazole?
The canonical SMILES for 5-prop-1-en-2-yl-3,4-bis(prop-2-enyl)-1,2-dihydrotriazole is C=CCC1=C(C(=C)C)NNN1CC=C.
What is the InChIKey of 5-prop-1-en-2-yl-3,4-bis(prop-2-enyl)-1,2-dihydrotriazole?
The InChIKey is YGJDONURIRTOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-5-7-10-11(9(3)4)12-13-14(10)8-6-2/h5-6,12-13H,1-3,7-8H2,4H3.
What are the key properties of 5-prop-1-en-2-yl-3,4-bis(prop-2-enyl)-1,2-dihydrotriazole?
5-prop-1-en-2-yl-3,4-bis(prop-2-enyl)-1,2-dihydrotriazole has a molecular weight of 191.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-en-2-yl-3,4-bis(prop-2-enyl)-1,2-dihydrotriazole is sourced from PubChem (CID 11321452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).