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

C11H15ClN6O2 — CID 106248418

IUPAC4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H15ClN6O2/c1-20-7-8(19)3-5-13-10-15-9(12)16-11(17-10)18-6-2-4-14-18/h2,4,6,8,19H,3,5,7H2,1H3,(H,13,15,16,17)
InChIKeyKZCKEFPCBOXFPV-UHFFFAOYSA-N
MW298.73 g/mol
LogP0.52
Rot. Bonds7

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

4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol (PubChem CID 106248418) has the molecular formula C11H15ClN6O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
PubChem CID106248418
Molecular FormulaC11H15ClN6O2
Molecular Weight298.73 g/mol
Exact Mass298.09
IUPAC Name4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H15ClN6O2/c1-20-7-8(19)3-5-13-10-15-9(12)16-11(17-10)18-6-2-4-14-18/h2,4,6,8,19H,3,5,7H2,1H3,(H,13,15,16,17)
InChIKeyKZCKEFPCBOXFPV-UHFFFAOYSA-N
XLogP0.52
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 55124960
4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113494206
4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63003609
4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol
CID 106248811
4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol
CID 106248777
1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
CID 80911229
2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol
CID 106311250
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248647
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115361922
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106279537
4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63834603
1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62863808

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol (CID 106248418) is 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol is COCC(O)CCNc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol?
The InChIKey is KZCKEFPCBOXFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O2/c1-20-7-8(19)3-5-13-10-15-9(12)16-11(17-10)18-6-2-4-14-18/h2,4,6,8,19H,3,5,7H2,1H3,(H,13,15,16,17).
What are the key properties of 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol?
4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol has a molecular weight of 298.73 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106248418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).