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

C11H20N4O — CID 104924101

IUPAC1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-2-ol
SMILESCc1nnc(NCC(O)CC(C)C)nc1C
InChIInChI=1S/C11H20N4O/c1-7(2)5-10(16)6-12-11-13-8(3)9(4)14-15-11/h7,10,16H,5-6H2,1-4H3,(H,12,13,15)
InChIKeyURWUFEPAKFKRMU-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.31
Rot. Bonds5

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

1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-2-ol (PubChem CID 104924101) 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]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-2-ol
PubChem CID104924101
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-2-ol
SMILESCc1nnc(NCC(O)CC(C)C)nc1C
InChIInChI=1S/C11H20N4O/c1-7(2)5-10(16)6-12-11-13-8(3)9(4)14-15-11/h7,10,16H,5-6H2,1-4H3,(H,12,13,15)
InChIKeyURWUFEPAKFKRMU-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 104918969
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol
CID 104924655
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol
CID 128837067
1-[(6-Methyl-1,2,4-triazin-3-yl)amino]pentan-2-ol
CID 176080472
trans-(1R,2R)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
CID 176918007
2-[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]ethanol
CID 176918027
1-[[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]methyl]cyclopropan-1-ol
CID 176918053
N-(2-methoxypropyl)-5,6-dimethyl-1,2,4-triazin-3-amine
CID 102698905
5,6-Dimethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine
CID 102954773
[2-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]methanol
CID 104919071
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol
CID 104919087
N-(5-methoxypentyl)-5,6-dimethyl-1,2,4-triazin-3-amine
CID 104924108

Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-2-ol (CID 104924101) is 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-2-ol is Cc1nnc(NCC(O)CC(C)C)nc1C.
What is the InChIKey of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-2-ol?
The InChIKey is URWUFEPAKFKRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)5-10(16)6-12-11-13-8(3)9(4)14-15-11/h7,10,16H,5-6H2,1-4H3,(H,12,13,15).
What are the key properties of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-2-ol?
1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-2-ol has a molecular weight of 224.31 g/mol, XLogP of 1.31, 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]-4-methylpentan-2-ol is sourced from PubChem (CID 104924101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).