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

C16H17N5O2S — CID 121181722

IUPACN-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-phenylsulfanylpropanamide
SMILESCOc1nccn2c(CNC(=O)CCSc3ccccc3)nnc12
InChIInChI=1S/C16H17N5O2S/c1-23-16-15-20-19-13(21(15)9-8-17-16)11-18-14(22)7-10-24-12-5-3-2-4-6-12/h2-6,8-9H,7,10-11H2,1H3,(H,18,22)
InChIKeyMJQYBRPHRVJXRP-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.93
Rot. Bonds7

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

N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-phenylsulfanylpropanamide (PubChem CID 121181722) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-phenylsulfanylpropanamide
PubChem CID121181722
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-phenylsulfanylpropanamide
SMILESCOc1nccn2c(CNC(=O)CCSc3ccccc3)nnc12
InChIInChI=1S/C16H17N5O2S/c1-23-16-15-20-19-13(21(15)9-8-17-16)11-18-14(22)7-10-24-12-5-3-2-4-6-12/h2-6,8-9H,7,10-11H2,1H3,(H,18,22)
InChIKeyMJQYBRPHRVJXRP-UHFFFAOYSA-N
XLogP1.93
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide
CID 121019776
N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 92680048
N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,6-difluorobenzamide
CID 121019791
N-(3-methoxypropyl)-3-phenylsulfanylpropanamide
CID 3138314
N-[2-[(2-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 37486176
3-methoxy-4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 103152885
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 55350071
3-(4-bromophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 55998004
3-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 33066011
2-[4-[(3-phenylsulfanylpropanoylamino)methyl]triazol-1-yl]acetic acid
CID 120698198

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-phenylsulfanylpropanamide (CID 121181722) is N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-phenylsulfanylpropanamide is COc1nccn2c(CNC(=O)CCSc3ccccc3)nnc12.
What is the InChIKey of N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-phenylsulfanylpropanamide?
The InChIKey is MJQYBRPHRVJXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-23-16-15-20-19-13(21(15)9-8-17-16)11-18-14(22)7-10-24-12-5-3-2-4-6-12/h2-6,8-9H,7,10-11H2,1H3,(H,18,22).
What are the key properties of N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-phenylsulfanylpropanamide?
N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-phenylsulfanylpropanamide has a molecular weight of 343.41 g/mol, XLogP of 1.93, 7 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]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 121181722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).