[5-(methylamino)-3-methylsulfanyl-1,2,4-triazin-6-yl]methanol

C6H10N4OS — CID 142172612

IUPAC[5-(methylamino)-3-methylsulfanyl-1,2,4-triazin-6-yl]methanol
SMILESCNc1nc(SC)nnc1CO
InChIInChI=1S/C6H10N4OS/c1-7-5-4(3-11)9-10-6(8-5)12-2/h11H,3H2,1-2H3,(H,7,8,10)
InChIKeyKXGYIUJDUDLJTJ-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.13
Rot. Bonds3

About [5-(methylamino)-3-methylsulfanyl-1,2,4-triazin-6-yl]methanol

[5-(methylamino)-3-methylsulfanyl-1,2,4-triazin-6-yl]methanol (PubChem CID 142172612) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is [5-(methylamino)-3-methylsulfanyl-1,2,4-triazin-6-yl]methanol.

Molecular Properties

Compound Name[5-(methylamino)-3-methylsulfanyl-1,2,4-triazin-6-yl]methanol
PubChem CID142172612
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name[5-(methylamino)-3-methylsulfanyl-1,2,4-triazin-6-yl]methanol
SMILESCNc1nc(SC)nnc1CO
InChIInChI=1S/C6H10N4OS/c1-7-5-4(3-11)9-10-6(8-5)12-2/h11H,3H2,1-2H3,(H,7,8,10)
InChIKeyKXGYIUJDUDLJTJ-UHFFFAOYSA-N
XLogP0.13
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 173112578
CID 173112578
N-methyl-1-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)methanamine
CID 83828779
5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 21077592
[2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol
CID 130836029
4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol
CID 157091027
(2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol
CID 59681451
(4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol
CID 10681947
[4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol
CID 10656911
5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 171500496
(4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol
CID 130899452
3-methylsulfanyl-5-(prop-2-enylamino)-1,2,4-triazine-6-carbaldehyde
CID 87719802
[4-[(3-amino-2-methylpropyl)amino]-2-methylsulfanylpyrimidin-5-yl]methanol;ethane
CID 164925715

Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)-3-methylsulfanyl-1,2,4-triazin-6-yl]methanol?
The IUPAC name of [5-(methylamino)-3-methylsulfanyl-1,2,4-triazin-6-yl]methanol (CID 142172612) is [5-(methylamino)-3-methylsulfanyl-1,2,4-triazin-6-yl]methanol.
What is the SMILES notation for [5-(methylamino)-3-methylsulfanyl-1,2,4-triazin-6-yl]methanol?
The canonical SMILES for [5-(methylamino)-3-methylsulfanyl-1,2,4-triazin-6-yl]methanol is CNc1nc(SC)nnc1CO.
What is the InChIKey of [5-(methylamino)-3-methylsulfanyl-1,2,4-triazin-6-yl]methanol?
The InChIKey is KXGYIUJDUDLJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-7-5-4(3-11)9-10-6(8-5)12-2/h11H,3H2,1-2H3,(H,7,8,10).
What are the key properties of [5-(methylamino)-3-methylsulfanyl-1,2,4-triazin-6-yl]methanol?
[5-(methylamino)-3-methylsulfanyl-1,2,4-triazin-6-yl]methanol has a molecular weight of 186.24 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)-3-methylsulfanyl-1,2,4-triazin-6-yl]methanol is sourced from PubChem (CID 142172612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).