4-amino-6-prop-1-en-2-yl-3-propylsulfanyl-1,2,4-triazin-5-one

C9H14N4OS — CID 101138713

IUPAC4-amino-6-prop-1-en-2-yl-3-propylsulfanyl-1,2,4-triazin-5-one
SMILESC=C(C)c1nnc(SCCC)n(N)c1=O
InChIInChI=1S/C9H14N4OS/c1-4-5-15-9-12-11-7(6(2)3)8(14)13(9)10/h2,4-5,10H2,1,3H3
InChIKeyMZIPLIZNWWRVHZ-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.89
Rot. Bonds4

About 4-amino-6-prop-1-en-2-yl-3-propylsulfanyl-1,2,4-triazin-5-one

4-amino-6-prop-1-en-2-yl-3-propylsulfanyl-1,2,4-triazin-5-one (PubChem CID 101138713) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-amino-6-prop-1-en-2-yl-3-propylsulfanyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-prop-1-en-2-yl-3-propylsulfanyl-1,2,4-triazin-5-one
PubChem CID101138713
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name4-amino-6-prop-1-en-2-yl-3-propylsulfanyl-1,2,4-triazin-5-one
SMILESC=C(C)c1nnc(SCCC)n(N)c1=O
InChIInChI=1S/C9H14N4OS/c1-4-5-15-9-12-11-7(6(2)3)8(14)13(9)10/h2,4-5,10H2,1,3H3
InChIKeyMZIPLIZNWWRVHZ-UHFFFAOYSA-N
XLogP0.89
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-hexylsulfanyl-6-phenyl-1,2,4-triazin-5-one
CID 21422679
4-amino-6-tert-butyl-3-ethylsulfanyl-1,2,4-triazin-5-one
CID 67617205
4-amino-6-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-one
CID 39757582
4-propan-2-yl-5-propylsulfanyl-1,2,4-triazol-3-amine
CID 63095762
2-[[4-amino-5-(2-bromoprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
CID 47357051
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 9274301
3-(3-aminopropylsulfanyl)-5-butyl-1,2,4-triazol-4-amine
CID 28915797
3-pentylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 19194699
3-(4-fluorophenyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-amine
CID 932028
4-amino-6-hexyl-3-methylsulfanyl-1,2,4-triazin-5-one
CID 23274395
5,6-dimethyl-3-propylsulfanyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 135732099
3-(4-amino-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide
CID 24604083

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-prop-1-en-2-yl-3-propylsulfanyl-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-prop-1-en-2-yl-3-propylsulfanyl-1,2,4-triazin-5-one (CID 101138713) is 4-amino-6-prop-1-en-2-yl-3-propylsulfanyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-prop-1-en-2-yl-3-propylsulfanyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-prop-1-en-2-yl-3-propylsulfanyl-1,2,4-triazin-5-one is C=C(C)c1nnc(SCCC)n(N)c1=O.
What is the InChIKey of 4-amino-6-prop-1-en-2-yl-3-propylsulfanyl-1,2,4-triazin-5-one?
The InChIKey is MZIPLIZNWWRVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-4-5-15-9-12-11-7(6(2)3)8(14)13(9)10/h2,4-5,10H2,1,3H3.
What are the key properties of 4-amino-6-prop-1-en-2-yl-3-propylsulfanyl-1,2,4-triazin-5-one?
4-amino-6-prop-1-en-2-yl-3-propylsulfanyl-1,2,4-triazin-5-one has a molecular weight of 226.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-prop-1-en-2-yl-3-propylsulfanyl-1,2,4-triazin-5-one is sourced from PubChem (CID 101138713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).