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

C10H13ClN6O — CID 55124995

IUPAC2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C10H13ClN6O/c1-10(2,6-18)16-8-13-7(11)14-9(15-8)17-5-3-4-12-17/h3-5,18H,6H2,1-2H3,(H,13,14,15,16)
InChIKeyHYBZFFRSDFMSQY-UHFFFAOYSA-N
MW268.71 g/mol
LogP0.89
Rot. Bonds4

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

2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol (PubChem CID 55124995) has the molecular formula C10H13ClN6O and a molecular weight of 268.71 g/mol. Its IUPAC name is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
PubChem CID55124995
Molecular FormulaC10H13ClN6O
Molecular Weight268.71 g/mol
Exact Mass268.08
IUPAC Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C10H13ClN6O/c1-10(2,6-18)16-8-13-7(11)14-9(15-8)17-5-3-4-12-17/h3-5,18H,6H2,1-2H3,(H,13,14,15,16)
InChIKeyHYBZFFRSDFMSQY-UHFFFAOYSA-N
XLogP0.89
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[(6-Pyrazol-1-ylpyrimidin-4-yl)amino]ethanol
CID 2218330
4-chloro-6-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 63834604
6-pyrazol-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80818935
N-propyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 80844474
N-ethyl-4-pyrazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 80859007
4-(2,2-difluoroethoxy)-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 82009597
4-(2,2-difluoroethoxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 82010296
N-ethyl-4-pyrazol-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine
CID 82963150
3-[(4-Chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105648263
3-[(4-Chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol
CID 105648362
1,1,1-Trifluoro-3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 105649395
1,1-Difluoro-3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 105649451

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol (CID 55124995) is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol is CC(C)(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-methylpropan-1-ol?
The InChIKey is HYBZFFRSDFMSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O/c1-10(2,6-18)16-8-13-7(11)14-9(15-8)17-5-3-4-12-17/h3-5,18H,6H2,1-2H3,(H,13,14,15,16).
What are the key properties of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol has a molecular weight of 268.71 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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-methylpropan-1-ol is sourced from PubChem (CID 55124995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).