2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol

C11H16N6OS — CID 80884988

IUPAC2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol
SMILESCCCNc1nc(SCCO)nc(-n2cccn2)n1
InChIInChI=1S/C11H16N6OS/c1-2-4-12-9-14-10(17-6-3-5-13-17)16-11(15-9)19-8-7-18/h3,5-6,18H,2,4,7-8H2,1H3,(H,12,14,15,16)
InChIKeyKCHOFTSNXAVQGS-UHFFFAOYSA-N
MW280.36 g/mol
LogP0.96
Rot. Bonds7

About 2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol

2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol (PubChem CID 80884988) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol
PubChem CID80884988
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC Name2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol
SMILESCCCNc1nc(SCCO)nc(-n2cccn2)n1
InChIInChI=1S/C11H16N6OS/c1-2-4-12-9-14-10(17-6-3-5-13-17)16-11(15-9)19-8-7-18/h3,5-6,18H,2,4,7-8H2,1H3,(H,12,14,15,16)
InChIKeyKCHOFTSNXAVQGS-UHFFFAOYSA-N
XLogP0.96
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol with MolForge

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Related Compounds

4-(2-methylpropylsulfanyl)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80892924
methyl 2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80873622
N-ethyl-4-(2-methoxyethylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80884384
(4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80921572
2-N-tert-butyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80767982
3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 80890647
2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80769428
5-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324134
2-N-butyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80785977
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethanol
CID 80932632
4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80843543
2-methyl-3-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890917

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol?
The IUPAC name of 2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol (CID 80884988) is 2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol?
The canonical SMILES for 2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol is CCCNc1nc(SCCO)nc(-n2cccn2)n1.
What is the InChIKey of 2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol?
The InChIKey is KCHOFTSNXAVQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-2-4-12-9-14-10(17-6-3-5-13-17)16-11(15-9)19-8-7-18/h3,5-6,18H,2,4,7-8H2,1H3,(H,12,14,15,16).
What are the key properties of 2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol?
2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol has a molecular weight of 280.36 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol is sourced from PubChem (CID 80884988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).