5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine

C12H18N4 — CID 141127060

IUPAC5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine
SMILESCCC1=CC(c2nc(C)nn2C)=C(C)NC1
InChIInChI=1S/C12H18N4/c1-5-10-6-11(8(2)13-7-10)12-14-9(3)15-16(12)4/h6,13H,5,7H2,1-4H3
InChIKeyVXXKYYIYXRQVTG-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.79
Rot. Bonds2

About 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine

5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine (PubChem CID 141127060) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine
PubChem CID141127060
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine
SMILESCCC1=CC(c2nc(C)nn2C)=C(C)NC1
InChIInChI=1S/C12H18N4/c1-5-10-6-11(8(2)13-7-10)12-14-9(3)15-16(12)4/h6,13H,5,7H2,1-4H3
InChIKeyVXXKYYIYXRQVTG-UHFFFAOYSA-N
XLogP1.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
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
4-[3-[(2E,7Z)-6-fluoronona-2,4,7-trien-2-yl]-5-methyl-1,2,4-triazol-1-yl]-2-methylbutan-2-amine
CID 143074980
5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 10867177
5-(1,5-Dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine
CID 19612494
5-(1-Methyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine
CID 23052456
Lithium 1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162940
5-cyclohexa-1,3-dien-1-yl-N,2-diethyl-1,2,4-triazol-3-amine
CID 67679893
(E)-N,3-dimethyl-4-methylimino-4-(2-methyl-7H-[1,2,4]triazolo[1,5-a]azepin-8-yl)but-2-en-2-amine
CID 134567652
5-(2,5-dimethyl-2H-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1H-pyridin-2-one
CID 135438451
5-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-methyl-N-propyl-1,2,4-triazol-3-amine
CID 137468650
(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

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine?
The IUPAC name of 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine (CID 141127060) is 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine.
What is the SMILES notation for 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine?
The canonical SMILES for 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine is CCC1=CC(c2nc(C)nn2C)=C(C)NC1.
What is the InChIKey of 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine?
The InChIKey is VXXKYYIYXRQVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-5-10-6-11(8(2)13-7-10)12-14-9(3)15-16(12)4/h6,13H,5,7H2,1-4H3.
What are the key properties of 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine?
5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine has a molecular weight of 218.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine is sourced from PubChem (CID 141127060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).