N-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide

C15H16N6O2 — CID 166334726

IUPACN-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESO=C(NC(CO)CCc1ccncc1)c1cn2cnnc2cn1
InChIInChI=1S/C15H16N6O2/c22-9-12(2-1-11-3-5-16-6-4-11)19-15(23)13-8-21-10-18-20-14(21)7-17-13/h3-8,10,12,22H,1-2,9H2,(H,19,23)
InChIKeyCRNJQTAIRGVBDZ-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.24
Rot. Bonds6

About N-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide

N-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (PubChem CID 166334726) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
PubChem CID166334726
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC NameN-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESO=C(NC(CO)CCc1ccncc1)c1cn2cnnc2cn1
InChIInChI=1S/C15H16N6O2/c22-9-12(2-1-11-3-5-16-6-4-11)19-15(23)13-8-21-10-18-20-14(21)7-17-13/h3-8,10,12,22H,1-2,9H2,(H,19,23)
InChIKeyCRNJQTAIRGVBDZ-UHFFFAOYSA-N
XLogP0.24
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide with MolForge

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Related Compounds

N-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 164653444
N-(2-chloroethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 164653443
N-(4-pyridin-4-ylbutyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 166306644
N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 104580688
5-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 103920023
(3-benzyl-3-methylazetidin-1-yl)-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone
CID 154869578
N-methyl-1,5-dipyridin-4-ylpentan-3-amine
CID 11253852
N-(1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 43419304
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
N-[(2R)-1-hydroxybutan-2-yl]-2-pyridin-4-ylacetamide
CID 103961002
5-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 104640377
N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43500413

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The IUPAC name of N-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (CID 166334726) is N-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is O=C(NC(CO)CCc1ccncc1)c1cn2cnnc2cn1.
What is the InChIKey of N-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The InChIKey is CRNJQTAIRGVBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c22-9-12(2-1-11-3-5-16-6-4-11)19-15(23)13-8-21-10-18-20-14(21)7-17-13/h3-8,10,12,22H,1-2,9H2,(H,19,23).
What are the key properties of N-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
N-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-pyridin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is sourced from PubChem (CID 166334726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).