N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide

C17H18N6O — CID 86772269

IUPACN-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide
SMILESCc1nnc2n1CC(NC(=O)c1cncn1-c1ccccc1)CC2
InChIInChI=1S/C17H18N6O/c1-12-20-21-16-8-7-13(10-22(12)16)19-17(24)15-9-18-11-23(15)14-5-3-2-4-6-14/h2-6,9,11,13H,7-8,10H2,1H3,(H,19,24)
InChIKeyMHUOBSDYJITVBL-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.52
Rot. Bonds3

About N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide

N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide (PubChem CID 86772269) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide
PubChem CID86772269
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide
SMILESCc1nnc2n1CC(NC(=O)c1cncn1-c1ccccc1)CC2
InChIInChI=1S/C17H18N6O/c1-12-20-21-16-8-7-13(10-22(12)16)19-17(24)15-9-18-11-23(15)14-5-3-2-4-6-14/h2-6,9,11,13H,7-8,10H2,1H3,(H,19,24)
InChIKeyMHUOBSDYJITVBL-UHFFFAOYSA-N
XLogP1.52
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide (CID 86772269) is N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide is Cc1nnc2n1CC(NC(=O)c1cncn1-c1ccccc1)CC2.
What is the InChIKey of N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide?
The InChIKey is MHUOBSDYJITVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12-20-21-16-8-7-13(10-22(12)16)19-17(24)15-9-18-11-23(15)14-5-3-2-4-6-14/h2-6,9,11,13H,7-8,10H2,1H3,(H,19,24).
What are the key properties of N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide?
N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 86772269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).