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

C8H13ClN4O — CID 171763748

IUPAC(2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]butan-2-ol
SMILESCC[C@@H](O)CNc1nnc(Cl)c(C)n1
InChIInChI=1S/C8H13ClN4O/c1-3-6(14)4-10-8-11-5(2)7(9)12-13-8/h6,14H,3-4H2,1-2H3,(H,10,11,13)/t6-/m1/s1
InChIKeyQZRKAADJXYJQHB-ZCFIWIBFSA-N
MW216.67 g/mol
LogP1.02
Rot. Bonds4

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

(2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]butan-2-ol (PubChem CID 171763748) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]butan-2-ol
PubChem CID171763748
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name(2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]butan-2-ol
SMILESCC[C@@H](O)CNc1nnc(Cl)c(C)n1
InChIInChI=1S/C8H13ClN4O/c1-3-6(14)4-10-8-11-5(2)7(9)12-13-8/h6,14H,3-4H2,1-2H3,(H,10,11,13)/t6-/m1/s1
InChIKeyQZRKAADJXYJQHB-ZCFIWIBFSA-N
XLogP1.02
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

Analyze (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]butan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 171763586
cis-(1S,6R)-6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-difluorocyclohexan-1-ol
CID 171763630
trans-(1R,2R)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-5,5-difluorocyclohexan-1-ol
CID 171763723
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
cis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
CID 166099089
trans-(1R,2R)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
CID 166099150
(3S,4R)-4-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxan-3-ol
CID 166099153
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-3-ol
CID 166152980
3-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol
CID 166152999
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol;hydrochloride
CID 166153015
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol
CID 166153016

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]butan-2-ol?
The IUPAC name of (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]butan-2-ol (CID 171763748) is (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]butan-2-ol.
What is the SMILES notation for (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]butan-2-ol?
The canonical SMILES for (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]butan-2-ol is CC[C@@H](O)CNc1nnc(Cl)c(C)n1.
What is the InChIKey of (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]butan-2-ol?
The InChIKey is QZRKAADJXYJQHB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13ClN4O/c1-3-6(14)4-10-8-11-5(2)7(9)12-13-8/h6,14H,3-4H2,1-2H3,(H,10,11,13)/t6-/m1/s1.
What are the key properties of (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]butan-2-ol?
(2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]butan-2-ol has a molecular weight of 216.67 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]butan-2-ol is sourced from PubChem (CID 171763748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).