(2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine

C17H22N4 — CID 142265863

IUPAC(2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine
SMILESC=c1ccc(CC)n/c1=C/C=C\C(C)c1nnc(C)n1C
InChIInChI=1S/C17H22N4/c1-6-15-11-10-12(2)16(18-15)9-7-8-13(3)17-20-19-14(4)21(17)5/h7-11,13H,2,6H2,1,3-5H3/b8-7-,16-9+
InChIKeyLFOAITOJJFURGK-ZTKBPZBTSA-N
MW282.39 g/mol
LogP1.63
Rot. Bonds4

About (2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine

(2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine (PubChem CID 142265863) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is (2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine.

Molecular Properties

Compound Name(2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine
PubChem CID142265863
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name(2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine
SMILESC=c1ccc(CC)n/c1=C/C=C\C(C)c1nnc(C)n1C
InChIInChI=1S/C17H22N4/c1-6-15-11-10-12(2)16(18-15)9-7-8-13(3)17-20-19-14(4)21(17)5/h7-11,13H,2,6H2,1,3-5H3/b8-7-,16-9+
InChIKeyLFOAITOJJFURGK-ZTKBPZBTSA-N
XLogP1.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3E)-N-(2,2-difluoroethyl)-N-methyl-3-[(1-methyl-5-propyl-1,2,4-triazol-3-yl)methylidene]pent-1-en-2-amine
CID 123228896
N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[3-(difluoromethyl)-5-ethenyl-1,2,4-triazol-4-yl]ethenyl]-N-methylcyclohexa-1,5-dien-1-amine
CID 144130368
5-cyclohex-2-en-1-yl-N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 144197305
4-(2,6-Dimethylcyclohexa-1,5-dien-1-yl)-3-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole
CID 164090840
3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-4-[(2Z)-hexa-2,5-dienyl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,2,4-triazole
CID 90305220
CID 91107915
CID 91107915
3,4-Dimethyl-5-(1-methyl-4,5-dimethylidenepyrazol-3-yl)-1,2,4-triazole
CID 123615034
4-buta-1,3-dienyl-N-but-1-en-2-yl-5-(4-chlorohexa-2,4-dien-3-yl)-1,2,4-triazole-3-carboximidoyl chloride
CID 123843915
(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-Cyclohexa-1,5-dien-1-yl-3-methyl-1-propan-2-yl-1,2,4-triazole
CID 141302367
3-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-4,5-dimethyl-1,2,4-triazole
CID 141879735
3,4-dimethyl-5-[(E,1Z)-1-(2-methyl-1,2-dihydropyrrol-3-ylidene)but-2-en-2-yl]-1,2,4-triazole
CID 142140854

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine?
The IUPAC name of (2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine (CID 142265863) is (2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine.
What is the SMILES notation for (2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine?
The canonical SMILES for (2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine is C=c1ccc(CC)n/c1=C/C=C\C(C)c1nnc(C)n1C.
What is the InChIKey of (2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine?
The InChIKey is LFOAITOJJFURGK-ZTKBPZBTSA-N. The full InChI is InChI=1S/C17H22N4/c1-6-15-11-10-12(2)16(18-15)9-7-8-13(3)17-20-19-14(4)21(17)5/h7-11,13H,2,6H2,1,3-5H3/b8-7-,16-9+.
What are the key properties of (2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine?
(2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine has a molecular weight of 282.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine is sourced from PubChem (CID 142265863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).