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

C12H22N4O — CID 104924329

IUPAC1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCc1nnc(NCC(O)CC(C)(C)C)nc1C
InChIInChI=1S/C12H22N4O/c1-8-9(2)15-16-11(14-8)13-7-10(17)6-12(3,4)5/h10,17H,6-7H2,1-5H3,(H,13,14,16)
InChIKeyWDOOKIVUILWJEF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.70
Rot. Bonds4

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

1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 104924329) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4,4-dimethylpentan-2-ol
PubChem CID104924329
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCc1nnc(NCC(O)CC(C)(C)C)nc1C
InChIInChI=1S/C12H22N4O/c1-8-9(2)15-16-11(14-8)13-7-10(17)6-12(3,4)5/h10,17H,6-7H2,1-5H3,(H,13,14,16)
InChIKeyWDOOKIVUILWJEF-UHFFFAOYSA-N
XLogP1.70
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.70
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]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4,4-dimethylpentan-2-ol (CID 104924329) is 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4,4-dimethylpentan-2-ol is Cc1nnc(NCC(O)CC(C)(C)C)nc1C.
What is the InChIKey of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is WDOOKIVUILWJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8-9(2)15-16-11(14-8)13-7-10(17)6-12(3,4)5/h10,17H,6-7H2,1-5H3,(H,13,14,16).
What are the key properties of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4,4-dimethylpentan-2-ol?
1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.70, 4 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]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 104924329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).