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

C11H16N6OS — CID 80890922

IUPAC3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
SMILESCCNc1nc(SCCCO)nc(-n2ccnc2)n1
InChIInChI=1S/C11H16N6OS/c1-2-13-9-14-10(17-5-4-12-8-17)16-11(15-9)19-7-3-6-18/h4-5,8,18H,2-3,6-7H2,1H3,(H,13,14,15,16)
InChIKeySUXXTUPAWWJJNI-UHFFFAOYSA-N
MW280.36 g/mol
LogP0.96
Rot. Bonds7

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

3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol (PubChem CID 80890922) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is 3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
PubChem CID80890922
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC Name3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
SMILESCCNc1nc(SCCCO)nc(-n2ccnc2)n1
InChIInChI=1S/C11H16N6OS/c1-2-13-9-14-10(17-5-4-12-8-17)16-11(15-9)19-7-3-6-18/h4-5,8,18H,2-3,6-7H2,1H3,(H,13,14,15,16)
InChIKeySUXXTUPAWWJJNI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine
CID 80890058
5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324013
4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine
CID 107765392
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
CID 80921833
2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779864
4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
CID 80893406
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772756
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80944977
2-N,4-N-diethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80775772
4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80754298
1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 80822955
4-N-ethyl-6-imidazol-1-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80770959

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol?
The IUPAC name of 3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol (CID 80890922) is 3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol.
What is the SMILES notation for 3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol?
The canonical SMILES for 3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol is CCNc1nc(SCCCO)nc(-n2ccnc2)n1.
What is the InChIKey of 3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol?
The InChIKey is SUXXTUPAWWJJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-2-13-9-14-10(17-5-4-12-8-17)16-11(15-9)19-7-3-6-18/h4-5,8,18H,2-3,6-7H2,1H3,(H,13,14,15,16).
What are the key properties of 3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol?
3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol 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 3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol is sourced from PubChem (CID 80890922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).