3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol

C12H18N6OS — CID 80890647

IUPAC3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
SMILESCCNc1nc(SCC(C)CO)nc(-n2cccn2)n1
InChIInChI=1S/C12H18N6OS/c1-3-13-10-15-11(18-6-4-5-14-18)17-12(16-10)20-8-9(2)7-19/h4-6,9,19H,3,7-8H2,1-2H3,(H,13,15,16,17)
InChIKeyFKWZHKIRRJWSBW-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.21
Rot. Bonds7

About 3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol

3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol (PubChem CID 80890647) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
PubChem CID80890647
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
SMILESCCNc1nc(SCC(C)CO)nc(-n2cccn2)n1
InChIInChI=1S/C12H18N6OS/c1-3-13-10-15-11(18-6-4-5-14-18)17-12(16-10)20-8-9(2)7-19/h4-6,9,19H,3,7-8H2,1-2H3,(H,13,15,16,17)
InChIKeyFKWZHKIRRJWSBW-UHFFFAOYSA-N
XLogP1.21
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol with MolForge

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Related Compounds

2-methyl-3-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890917
4-(2-methylpropylsulfanyl)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80892924
N-ethyl-4-(2-methoxyethylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80884384
N-methyl-4-(2-methylpropylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80892844
2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol
CID 80884988
3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol
CID 80927322
1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80780224
N-ethyl-4-pyrazol-1-yl-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-amine
CID 80888457
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 80890385
5-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324134
2-N-ethyl-4-N-methyl-4-N-(3-methylbutyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80780583
2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 80787468

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol (CID 80890647) is 3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol is CCNc1nc(SCC(C)CO)nc(-n2cccn2)n1.
What is the InChIKey of 3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol?
The InChIKey is FKWZHKIRRJWSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-3-13-10-15-11(18-6-4-5-14-18)17-12(16-10)20-8-9(2)7-19/h4-6,9,19H,3,7-8H2,1-2H3,(H,13,15,16,17).
What are the key properties of 3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol?
3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol has a molecular weight of 294.38 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 80890647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).