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

C11H20N4O — CID 104924286

IUPAC1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1nnc(C)c(C)n1
InChIInChI=1S/C11H20N4O/c1-5-6-11(4,16)7-12-10-13-8(2)9(3)14-15-10/h16H,5-7H2,1-4H3,(H,12,13,15)
InChIKeyVWASBGMXFPWBTC-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.45
Rot. Bonds5

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

1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol (PubChem CID 104924286) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol
PubChem CID104924286
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1nnc(C)c(C)n1
InChIInChI=1S/C11H20N4O/c1-5-6-11(4,16)7-12-10-13-8(2)9(3)14-15-10/h16H,5-7H2,1-4H3,(H,12,13,15)
InChIKeyVWASBGMXFPWBTC-UHFFFAOYSA-N
XLogP1.45
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol (CID 104924286) is 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1nnc(C)c(C)n1.
What is the InChIKey of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol?
The InChIKey is VWASBGMXFPWBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-6-11(4,16)7-12-10-13-8(2)9(3)14-15-10/h16H,5-7H2,1-4H3,(H,12,13,15).
What are the key properties of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol?
1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol has a molecular weight of 224.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 104924286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).