1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole;ethane

C11H19N3 — CID 165134545

IUPAC1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole;ethane
SMILESC=Cc1nc(C(C)C)nn1C=C.CC
InChIInChI=1S/C9H13N3.C2H6/c1-5-8-10-9(7(3)4)11-12(8)6-2;1-2/h5-7H,1-2H2,3-4H3;1-2H3
InChIKeyDPMLCANVNQEDNH-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.17
Rot. Bonds3

About 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole;ethane

1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole;ethane (PubChem CID 165134545) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole;ethane.

Molecular Properties

Compound Name1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole;ethane
PubChem CID165134545
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole;ethane
SMILESC=Cc1nc(C(C)C)nn1C=C.CC
InChIInChI=1S/C9H13N3.C2H6/c1-5-8-10-9(7(3)4)11-12(8)6-2;1-2/h5-7H,1-2H2,3-4H3;1-2H3
InChIKeyDPMLCANVNQEDNH-UHFFFAOYSA-N
XLogP3.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethenyl-5-propan-2-yl-1,2,4-triazole
CID 58336971
1,5-Bis(ethenyl)-3-methyl-1,2,4-triazole
CID 70225297
2,8-Dimethyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 89603927
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343
1-But-2-enyl-3,5-dimethyl-1,2,4-triazole
CID 91278220
3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 118674639
9-Methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene
CID 126658836
N-ethenyl-1-(5-ethenyl-3-heptyl-1,2,4-triazol-1-yl)methanimine
CID 126658837
N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine
CID 126658881
3-Ethenyl-1,5-dimethyl-1,2,4-triazole
CID 129222124
N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 130248507
N-[(Z)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]methanimine
CID 132062339

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole;ethane?
The IUPAC name of 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole;ethane (CID 165134545) is 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole;ethane.
What is the SMILES notation for 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole;ethane?
The canonical SMILES for 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole;ethane is C=Cc1nc(C(C)C)nn1C=C.CC.
What is the InChIKey of 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole;ethane?
The InChIKey is DPMLCANVNQEDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.C2H6/c1-5-8-10-9(7(3)4)11-12(8)6-2;1-2/h5-7H,1-2H2,3-4H3;1-2H3.
What are the key properties of 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole;ethane?
1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole;ethane has a molecular weight of 193.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(ethenyl)-3-propan-2-yl-1,2,4-triazole;ethane is sourced from PubChem (CID 165134545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).