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

C13H20N6 — CID 115278225

IUPAC6-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCn1nc(C(C)(C)C)nc1C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H20N6/c1-13(2,3)12-17-11(19(4)18-12)9-5-8-10(6-14-9)16-7-15-8/h7,9,14H,5-6H2,1-4H3,(H,15,16)
InChIKeyCPCGONXOGKVVBU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.22
Rot. Bonds1

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

6-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 115278225) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID115278225
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name6-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCn1nc(C(C)(C)C)nc1C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H20N6/c1-13(2,3)12-17-11(19(4)18-12)9-5-8-10(6-14-9)16-7-15-8/h7,9,14H,5-6H2,1-4H3,(H,15,16)
InChIKeyCPCGONXOGKVVBU-UHFFFAOYSA-N
XLogP1.22
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 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) is 6-(5-tert-butyl-2-methyl-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-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 6-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is Cn1nc(C(C)(C)C)nc1C1Cc2nc[nH]c2CN1.
What is the InChIKey of 6-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is CPCGONXOGKVVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-13(2,3)12-17-11(19(4)18-12)9-5-8-10(6-14-9)16-7-15-8/h7,9,14H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 6-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
6-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 260.34 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 115278225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).