N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide

C12H11N5O2S — CID 121019776

IUPACN-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide
SMILESCOc1nccn2c(CNC(=O)c3ccsc3)nnc12
InChIInChI=1S/C12H11N5O2S/c1-19-12-10-16-15-9(17(10)4-3-13-12)6-14-11(18)8-2-5-20-7-8/h2-5,7H,6H2,1H3,(H,14,18)
InChIKeyXQNHADNORJOEFL-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.12
Rot. Bonds4

About N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide

N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide (PubChem CID 121019776) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide
PubChem CID121019776
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC NameN-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide
SMILESCOc1nccn2c(CNC(=O)c3ccsc3)nnc12
InChIInChI=1S/C12H11N5O2S/c1-19-12-10-16-15-9(17(10)4-3-13-12)6-14-11(18)8-2-5-20-7-8/h2-5,7H,6H2,1H3,(H,14,18)
InChIKeyXQNHADNORJOEFL-UHFFFAOYSA-N
XLogP1.12
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide with MolForge

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Related Compounds

N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide
CID 119102521
N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 119102561
N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-phenylsulfanylpropanamide
CID 121181722
N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,6-difluorobenzamide
CID 121019791
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 47042626
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 95107609
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide
CID 47345026
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 47042880
N-(2-ethoxy-3-pyridinyl)thiophene-3-carboxamide
CID 34879256
N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide
CID 114298911
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide
CID 122322468

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide (CID 121019776) is N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide is COc1nccn2c(CNC(=O)c3ccsc3)nnc12.
What is the InChIKey of N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide?
The InChIKey is XQNHADNORJOEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c1-19-12-10-16-15-9(17(10)4-3-13-12)6-14-11(18)8-2-5-20-7-8/h2-5,7H,6H2,1H3,(H,14,18).
What are the key properties of N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide?
N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 121019776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).