7-methyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C13H18N6 — CID 81252759

IUPAC7-methyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCn2c(nnc2C2Cc3nc[nH]c3CN2)C1
InChIInChI=1S/C13H18N6/c1-8-2-3-19-12(4-8)17-18-13(19)10-5-9-11(6-14-10)16-7-15-9/h7-8,10,14H,2-6H2,1H3,(H,15,16)
InChIKeyFHOSXRSLXUQVEL-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.97
Rot. Bonds1

About 7-methyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

7-methyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 81252759) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 7-methyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-methyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID81252759
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name7-methyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCn2c(nnc2C2Cc3nc[nH]c3CN2)C1
InChIInChI=1S/C13H18N6/c1-8-2-3-19-12(4-8)17-18-13(19)10-5-9-11(6-14-10)16-7-15-9/h7-8,10,14H,2-6H2,1H3,(H,15,16)
InChIKeyFHOSXRSLXUQVEL-UHFFFAOYSA-N
XLogP0.97
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-methyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

6-bromo-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 79342408
(3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 79354184
3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151812
6-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 115278225
7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151154
3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 75614432
N,N-dimethyl-1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)piperidin-4-amine
CID 79354502
6-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 79354580
3-(4-methylpiperazin-1-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 116807674
3-cyclopropyl-2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)imidazo[4,5-b]pyridine
CID 79341952
3-ethyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79343357
N,N-dimethyl-1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanamine
CID 79354427

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-methyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 81252759) is 7-methyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-methyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-methyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC1CCn2c(nnc2C2Cc3nc[nH]c3CN2)C1.
What is the InChIKey of 7-methyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FHOSXRSLXUQVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-8-2-3-19-12(4-8)17-18-13(19)10-5-9-11(6-14-10)16-7-15-9/h7-8,10,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 7-methyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
7-methyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 258.33 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 81252759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).