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

C10H16Cl2N4O — CID 106257443

IUPAC2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1nc(Cl)nnc1Cl
InChIInChI=1S/C10H16Cl2N4O/c1-3-10(4-2,6-17)5-13-8-7(11)15-16-9(12)14-8/h17H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyBWNJHWMBGYCLKA-UHFFFAOYSA-N
MW279.17 g/mol
LogP2.39
Rot. Bonds6

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

2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 106257443) has the molecular formula C10H16Cl2N4O and a molecular weight of 279.17 g/mol. Its IUPAC name is 2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID106257443
Molecular FormulaC10H16Cl2N4O
Molecular Weight279.17 g/mol
Exact Mass278.07
IUPAC Name2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1nc(Cl)nnc1Cl
InChIInChI=1S/C10H16Cl2N4O/c1-3-10(4-2,6-17)5-13-8-7(11)15-16-9(12)14-8/h17H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyBWNJHWMBGYCLKA-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 2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol with MolForge

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Related Compounds

5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106149370
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106279604
2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106257430
2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106258224
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 81038146
2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 114165208
3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine
CID 130631788
2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol
CID 106258279
2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251512
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide
CID 81035680
2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol
CID 114164988
2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol
CID 106258505

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol (CID 106257443) is 2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1nc(Cl)nnc1Cl.
What is the InChIKey of 2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is BWNJHWMBGYCLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2N4O/c1-3-10(4-2,6-17)5-13-8-7(11)15-16-9(12)14-8/h17H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-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 2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106257443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).