2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-ethenyl-6-methylidenepyridin-1-ide

C12H13N4- — CID 123725012

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-ethenyl-6-methylidenepyridin-1-ide
SMILESC=CC1=CC(=C)[N-]C(n2nc(C)nc2C)=C1
InChIInChI=1S/C12H13N4/c1-5-11-6-8(2)13-12(7-11)16-10(4)14-9(3)15-16/h5-7H,1-2H2,3-4H3/q-1
InChIKeyIMPSUIUZJYFFEB-UHFFFAOYSA-N
MW213.26 g/mol
LogP2.71
Rot. Bonds2

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-ethenyl-6-methylidenepyridin-1-ide

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-ethenyl-6-methylidenepyridin-1-ide (PubChem CID 123725012) has the molecular formula C12H13N4- and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-ethenyl-6-methylidenepyridin-1-ide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-ethenyl-6-methylidenepyridin-1-ide
PubChem CID123725012
Molecular FormulaC12H13N4-
Molecular Weight213.26 g/mol
Exact Mass213.11
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-ethenyl-6-methylidenepyridin-1-ide
SMILESC=CC1=CC(=C)[N-]C(n2nc(C)nc2C)=C1
InChIInChI=1S/C12H13N4/c1-5-11-6-8(2)13-12(7-11)16-10(4)14-9(3)15-16/h5-7H,1-2H2,3-4H3/q-1
InChIKeyIMPSUIUZJYFFEB-UHFFFAOYSA-N
XLogP2.71
TPSA44.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-1-(2-methylbenzene-4-id-1-yl)-3-(trifluoromethyl)-1,2,4-triazole;yttrium
CID 59532599
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 153554256
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 153554257
CID 57621496
CID 57621496
CID 57621508
CID 57621508
(8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-[1,2,4]triazolo[1,5-a]pyridine
CID 60042571
(Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine
CID 139459227
3,5-dimethyl-4-[(3E,5E,7Z)-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-yl]-1,2,4-triazole
CID 142902860
ethane;4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-[(3E)-hexa-1,3,5-trien-3-yl]-N,N-dimethyl-1,2,4-triazol-3-amine
CID 143333574
4-Cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane
CID 144668192
4-Cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane
CID 144668194
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3,5-dimethyl-1,2,4-triazole
CID 153554069

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-ethenyl-6-methylidenepyridin-1-ide?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-ethenyl-6-methylidenepyridin-1-ide (CID 123725012) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-ethenyl-6-methylidenepyridin-1-ide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-ethenyl-6-methylidenepyridin-1-ide?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-ethenyl-6-methylidenepyridin-1-ide is C=CC1=CC(=C)[N-]C(n2nc(C)nc2C)=C1.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-ethenyl-6-methylidenepyridin-1-ide?
The InChIKey is IMPSUIUZJYFFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N4/c1-5-11-6-8(2)13-12(7-11)16-10(4)14-9(3)15-16/h5-7H,1-2H2,3-4H3/q-1.
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-ethenyl-6-methylidenepyridin-1-ide?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-ethenyl-6-methylidenepyridin-1-ide has a molecular weight of 213.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-ethenyl-6-methylidenepyridin-1-ide is sourced from PubChem (CID 123725012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).