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

C8H13ClN4O — CID 171763590

IUPAC2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol
SMILESCc1nc(NC(C)(C)CO)nnc1Cl
InChIInChI=1S/C8H13ClN4O/c1-5-6(9)12-13-7(10-5)11-8(2,3)4-14/h14H,4H2,1-3H3,(H,10,11,13)
InChIKeyGEKZHOKNKMUKGT-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.02
Rot. Bonds3

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

2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol (PubChem CID 171763590) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol
PubChem CID171763590
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol
SMILESCc1nc(NC(C)(C)CO)nnc1Cl
InChIInChI=1S/C8H13ClN4O/c1-5-6(9)12-13-7(10-5)11-8(2,3)4-14/h14H,4H2,1-3H3,(H,10,11,13)
InChIKeyGEKZHOKNKMUKGT-UHFFFAOYSA-N
XLogP1.02
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 171763586
2-[(5-Amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol
CID 118166040
[3-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol
CID 171763504
[1-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol
CID 171763543
2-[1-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopropyl]ethanol
CID 171763546
3-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol
CID 171763548
3-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-1-ol
CID 171763594
(2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol
CID 171763596
(2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]propan-2-ol
CID 171763628
[3-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-bicyclo[1.1.1]pentanyl]methanol
CID 171763672
6-chloro-N-[(2R)-2-methoxypropyl]-5-methyl-1,2,4-triazin-3-amine
CID 171763680
1-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol
CID 171763700

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol (CID 171763590) is 2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol is Cc1nc(NC(C)(C)CO)nnc1Cl.
What is the InChIKey of 2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol?
The InChIKey is GEKZHOKNKMUKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O/c1-5-6(9)12-13-7(10-5)11-8(2,3)4-14/h14H,4H2,1-3H3,(H,10,11,13).
What are the key properties of 2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol?
2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol has a molecular weight of 216.67 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 171763590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).