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

C13H24N4O — CID 106544464

IUPAC1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1nnc(CC)c(CC)n1
InChIInChI=1S/C13H24N4O/c1-5-8-13(4,18)9-14-12-15-10(6-2)11(7-3)16-17-12/h18H,5-9H2,1-4H3,(H,14,15,17)
InChIKeyFLYVQOHSZUDRPH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.96
Rot. Bonds7

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

1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol (PubChem CID 106544464) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol
PubChem CID106544464
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1nnc(CC)c(CC)n1
InChIInChI=1S/C13H24N4O/c1-5-8-13(4,18)9-14-12-15-10(6-2)11(7-3)16-17-12/h18H,5-9H2,1-4H3,(H,14,15,17)
InChIKeyFLYVQOHSZUDRPH-UHFFFAOYSA-N
XLogP1.96
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-N-(2-methylpentan-2-yl)-1,2,4-triazin-3-amine
CID 105362826
5,6-diethyl-N-(4-methoxy-2,2-dimethylbutyl)-1,2,4-triazin-3-amine
CID 106545016
5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine
CID 105362879
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol
CID 105362419
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362361
5,6-diethyl-N-octyl-1,2,4-triazin-3-amine
CID 105362763
N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386
N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362757
5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine
CID 105362652
2-methyl-1-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106296430
3-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol
CID 106544559
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 106097326

Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol (CID 106544464) is 1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1nnc(CC)c(CC)n1.
What is the InChIKey of 1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol?
The InChIKey is FLYVQOHSZUDRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-8-13(4,18)9-14-12-15-10(6-2)11(7-3)16-17-12/h18H,5-9H2,1-4H3,(H,14,15,17).
What are the key properties of 1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol?
1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106544464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).