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

C12H17ClN6O — CID 62865203

IUPAC2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H17ClN6O/c1-3-12(4-2,8-20)18-10-15-9(13)16-11(17-10)19-7-5-6-14-19/h5-7,20H,3-4,8H2,1-2H3,(H,15,16,17,18)
InChIKeyGXODUXNOIXISOD-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.67
Rot. Bonds6

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

2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol (PubChem CID 62865203) has the molecular formula C12H17ClN6O and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
PubChem CID62865203
Molecular FormulaC12H17ClN6O
Molecular Weight296.76 g/mol
Exact Mass296.12
IUPAC Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H17ClN6O/c1-3-12(4-2,8-20)18-10-15-9(13)16-11(17-10)19-7-5-6-14-19/h5-7,20H,3-4,8H2,1-2H3,(H,15,16,17,18)
InChIKeyGXODUXNOIXISOD-UHFFFAOYSA-N
XLogP1.67
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol (CID 62865203) is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol is CCC(CC)(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-ethylbutan-1-ol?
The InChIKey is GXODUXNOIXISOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6O/c1-3-12(4-2,8-20)18-10-15-9(13)16-11(17-10)19-7-5-6-14-19/h5-7,20H,3-4,8H2,1-2H3,(H,15,16,17,18).
What are the key properties of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol has a molecular weight of 296.76 g/mol, XLogP of 1.67, 6 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-ethylbutan-1-ol is sourced from PubChem (CID 62865203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).