6-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C10H14N6 — CID 79354580

IUPAC6-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCCc1nc(C2Cc3nc[nH]c3CN2)n[nH]1
InChIInChI=1S/C10H14N6/c1-2-9-14-10(16-15-9)7-3-6-8(4-11-7)13-5-12-6/h5,7,11H,2-4H2,1H3,(H,12,13)(H,14,15,16)
InChIKeyIZIMSPHSLMADMG-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.48
Rot. Bonds2

About 6-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

6-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 79354580) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID79354580
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name6-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCCc1nc(C2Cc3nc[nH]c3CN2)n[nH]1
InChIInChI=1S/C10H14N6/c1-2-9-14-10(16-15-9)7-3-6-8(4-11-7)13-5-12-6/h5,7,11H,2-4H2,1H3,(H,12,13)(H,14,15,16)
InChIKeyIZIMSPHSLMADMG-UHFFFAOYSA-N
XLogP0.48
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 6-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 79354580) is 6-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 6-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is CCc1nc(C2Cc3nc[nH]c3CN2)n[nH]1.
What is the InChIKey of 6-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is IZIMSPHSLMADMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-2-9-14-10(16-15-9)7-3-6-8(4-11-7)13-5-12-6/h5,7,11H,2-4H2,1H3,(H,12,13)(H,14,15,16).
What are the key properties of 6-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
6-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 218.26 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 79354580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).