2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide

C12H15N5O3S — CID 8569743

IUPAC2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
SMILESCc1nnc(SCC(=O)N[C@H](C)c2ccco2)n(N)c1=O
InChIInChI=1S/C12H15N5O3S/c1-7(9-4-3-5-20-9)14-10(18)6-21-12-16-15-8(2)11(19)17(12)13/h3-5,7H,6,13H2,1-2H3,(H,14,18)/t7-/m1/s1
InChIKeyTXPNHOPMERBDLE-SSDOTTSWSA-N
MW309.35 g/mol
LogP0.22
Rot. Bonds5

About 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide

2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide (PubChem CID 8569743) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
PubChem CID8569743
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
SMILESCc1nnc(SCC(=O)N[C@H](C)c2ccco2)n(N)c1=O
InChIInChI=1S/C12H15N5O3S/c1-7(9-4-3-5-20-9)14-10(18)6-21-12-16-15-8(2)11(19)17(12)13/h3-5,7H,6,13H2,1-2H3,(H,14,18)/t7-/m1/s1
InChIKeyTXPNHOPMERBDLE-SSDOTTSWSA-N
XLogP0.22
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide
CID 78729168
2-[3-(furan-2-yl)-5-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide
CID 42935997
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 8569746
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 47124185
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 17413002
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8569723
N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 8807414
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]acetamide
CID 7637920
N-[1-(furan-2-yl)ethyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 43033023
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
CID 7638048
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 7273135

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide (CID 8569743) is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide is Cc1nnc(SCC(=O)N[C@H](C)c2ccco2)n(N)c1=O.
What is the InChIKey of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
The InChIKey is TXPNHOPMERBDLE-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-7(9-4-3-5-20-9)14-10(18)6-21-12-16-15-8(2)11(19)17(12)13/h3-5,7H,6,13H2,1-2H3,(H,14,18)/t7-/m1/s1.
What are the key properties of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide has a molecular weight of 309.35 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 8569743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).