5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol

C10H16Cl2N4O — CID 106149370

IUPAC5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNc1nc(Cl)nnc1Cl
InChIInChI=1S/C10H16Cl2N4O/c1-10(2,4-3-5-17)6-13-8-7(11)15-16-9(12)14-8/h17H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyFKDCDUOCLCXFMK-UHFFFAOYSA-N
MW279.17 g/mol
LogP2.39
Rot. Bonds6

About 5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol

5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106149370) has the molecular formula C10H16Cl2N4O and a molecular weight of 279.17 g/mol. Its IUPAC name is 5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106149370
Molecular FormulaC10H16Cl2N4O
Molecular Weight279.17 g/mol
Exact Mass278.07
IUPAC Name5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNc1nc(Cl)nnc1Cl
InChIInChI=1S/C10H16Cl2N4O/c1-10(2,4-3-5-17)6-13-8-7(11)15-16-9(12)14-8/h17H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyFKDCDUOCLCXFMK-UHFFFAOYSA-N
XLogP2.39
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol with MolForge

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Related Compounds

3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 81038146
2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106257443
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106279604
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 81036688
3,6-dichloro-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81037431
5-(3,4-dihydro-2H-pyrrol-5-ylamino)-4,4-dimethylpentan-1-ol
CID 106147104
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide
CID 106098053
5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 114150408
5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 106149965
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide
CID 81035680
5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106150078
5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 103896010

Frequently Asked Questions

What is the IUPAC name of 5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol (CID 106149370) is 5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNc1nc(Cl)nnc1Cl.
What is the InChIKey of 5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is FKDCDUOCLCXFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2N4O/c1-10(2,4-3-5-17)6-13-8-7(11)15-16-9(12)14-8/h17H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol?
5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 279.17 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106149370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).