3-(1H-imidazol-5-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

C11H15N5 — CID 167935598

IUPAC3-(1H-imidazol-5-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1(C)CCc2nnc(-c3cnc[nH]3)n2C1
InChIInChI=1S/C11H15N5/c1-11(2)4-3-9-14-15-10(16(9)6-11)8-5-12-7-13-8/h5,7H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyOOIMYSKHOBJRAE-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.64
Rot. Bonds1

About 3-(1H-imidazol-5-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

3-(1H-imidazol-5-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 167935598) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID167935598
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-(1H-imidazol-5-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1(C)CCc2nnc(-c3cnc[nH]3)n2C1
InChIInChI=1S/C11H15N5/c1-11(2)4-3-9-14-15-10(16(9)6-11)8-5-12-7-13-8/h5,7H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyOOIMYSKHOBJRAE-UHFFFAOYSA-N
XLogP1.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1H-imidazol-5-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

3-(2-bromophenyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559830
6,6-dimethyl-3-[4-(tetrazol-1-yl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559825
4-(6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-ethylphthalazin-1-one
CID 136559811
5-(1H-imidazol-5-yl)-2-methylpyrimidine
CID 89187650
3-[(4-bromophenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559845
3-(1H-imidazol-5-yl)-4,5-dimethylpyridine
CID 20580692
N-(3,3-dimethylcyclopentyl)-1H-imidazol-5-amine
CID 131155864
N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65084298
5-(1H-imidazol-5-yl)-2-methylpyridine
CID 11586339
2-(1H-imidazol-5-yl)-6-methyl-4H-azepine
CID 143013990
4-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dihydroimidazole;dihydrate
CID 45120951
2-(1H-imidazol-5-yl)-4,4,5,5-tetramethyl-3-oxidoimidazole-1,3-diium 1-oxide
CID 139130858

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(1H-imidazol-5-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (CID 167935598) is 3-(1H-imidazol-5-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(1H-imidazol-5-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is CC1(C)CCc2nnc(-c3cnc[nH]3)n2C1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is OOIMYSKHOBJRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-11(2)4-3-9-14-15-10(16(9)6-11)8-5-12-7-13-8/h5,7H,3-4,6H2,1-2H3,(H,12,13).
What are the key properties of 3-(1H-imidazol-5-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
3-(1H-imidazol-5-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 217.28 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 167935598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).