2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol

C11H15ClN6O2 — CID 107866465

IUPAC2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H15ClN6O2/c1-2-11(6-19,7-20)17-9-14-8(12)15-10(16-9)18-5-3-4-13-18/h3-5,19-20H,2,6-7H2,1H3,(H,14,15,16,17)
InChIKeyIGJJPBJTVBGMEY-UHFFFAOYSA-N
MW298.73 g/mol
LogP0.26
Rot. Bonds6

About 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol

2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol (PubChem CID 107866465) has the molecular formula C11H15ClN6O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
PubChem CID107866465
Molecular FormulaC11H15ClN6O2
Molecular Weight298.73 g/mol
Exact Mass298.09
IUPAC Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H15ClN6O2/c1-2-11(6-19,7-20)17-9-14-8(12)15-10(16-9)18-5-3-4-13-18/h3-5,19-20H,2,6-7H2,1H3,(H,14,15,16,17)
InChIKeyIGJJPBJTVBGMEY-UHFFFAOYSA-N
XLogP0.26
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol with MolForge

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Related Compounds

2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 80902539
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115361922
1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62863808
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
CID 62863010
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106279537
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106352572
N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 62869545
4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63830003
4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 114101578
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propylacetamide
CID 62863526
ethyl 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 62864276
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107866305

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol (CID 107866465) is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)Nc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol?
The InChIKey is IGJJPBJTVBGMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O2/c1-2-11(6-19,7-20)17-9-14-8(12)15-10(16-9)18-5-3-4-13-18/h3-5,19-20H,2,6-7H2,1H3,(H,14,15,16,17).
What are the key properties of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol?
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol has a molecular weight of 298.73 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107866465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).