(8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium

C12H16N3+ — CID 91237336

IUPAC(8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium
SMILESC=c1c(C)c(C)/c(=C/C)c2nc(C)[nH][n+]12
InChIInChI=1S/C12H15N3/c1-6-11-8(3)7(2)9(4)15-12(11)13-10(5)14-15/h6H,4H2,1-3,5H3/p+1/b11-6-
InChIKeySDVNOYCUJAEHNX-WDZFZDKYSA-O
MW202.28 g/mol
LogP0.28
Rot. Bonds

About (8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium

(8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium (PubChem CID 91237336) has the molecular formula C12H16N3+ and a molecular weight of 202.28 g/mol. Its IUPAC name is (8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium.

Molecular Properties

Compound Name(8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium
PubChem CID91237336
Molecular FormulaC12H16N3+
Molecular Weight202.28 g/mol
Exact Mass202.13
IUPAC Name(8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium
SMILESC=c1c(C)c(C)/c(=C/C)c2nc(C)[nH][n+]12
InChIInChI=1S/C12H15N3/c1-6-11-8(3)7(2)9(4)15-12(11)13-10(5)14-15/h6H,4H2,1-3,5H3/p+1/b11-6-
InChIKeySDVNOYCUJAEHNX-WDZFZDKYSA-O
XLogP0.28
TPSA32.78 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexa-1,5-dien-1-yl-5-propan-2-yl-1H-1,2,4-triazole
CID 17946487
(8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-[1,2,4]triazolo[1,5-a]pyridine
CID 60042571
5-methyl-3-[(3E,5Z)-2-methylhepta-3,5-dien-3-yl]-1H-1,2,4-triazole
CID 88947372
5-methyl-3-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-1,2,4-triazole
CID 89611446
5-methyl-3-[(3E)-2-methylpenta-1,3-dien-3-yl]-1H-1,2,4-triazole
CID 117885874
4-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-3-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-2-amine
CID 123437100
5-tert-butyl-3-[(3Z)-hepta-1,3,5-trien-2-yl]-1H-1,2,4-triazole
CID 123727216
3-hexa-1,3-dien-2-yl-5-methyl-1H-1,2,4-triazole
CID 123876442
5-methyl-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1H-1,2,4-triazole
CID 130342945
3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-methyl-1H-1,2,4-triazole
CID 132126164
(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
5-ethyl-3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-1,2,4-triazole;molecular hydrogen
CID 143106810

Frequently Asked Questions

What is the IUPAC name of (8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium?
The IUPAC name of (8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium (CID 91237336) is (8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium.
What is the SMILES notation for (8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium?
The canonical SMILES for (8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium is C=c1c(C)c(C)/c(=C/C)c2nc(C)[nH][n+]12.
What is the InChIKey of (8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium?
The InChIKey is SDVNOYCUJAEHNX-WDZFZDKYSA-O. The full InChI is InChI=1S/C12H15N3/c1-6-11-8(3)7(2)9(4)15-12(11)13-10(5)14-15/h6H,4H2,1-3,5H3/p+1/b11-6-.
What are the key properties of (8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium?
(8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium has a molecular weight of 202.28 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium is sourced from PubChem (CID 91237336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).