1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(3,4-difluorophenyl)-2-methylpropan-2-ol

C15H14ClF2N5O — CID 145221148

IUPAC1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(3,4-difluorophenyl)-2-methylpropan-2-ol
SMILESCC(C)(O)C(Nc1cc(Cl)nc2ncnn12)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14ClF2N5O/c1-15(2,24)13(8-3-4-9(17)10(18)5-8)22-12-6-11(16)21-14-19-7-20-23(12)14/h3-7,13,22,24H,1-2H3
InChIKeyZSYIHZDKVFQARR-UHFFFAOYSA-N
MW353.76 g/mol
LogP2.98
Rot. Bonds4

About 1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(3,4-difluorophenyl)-2-methylpropan-2-ol

1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(3,4-difluorophenyl)-2-methylpropan-2-ol (PubChem CID 145221148) has the molecular formula C15H14ClF2N5O and a molecular weight of 353.76 g/mol. Its IUPAC name is 1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(3,4-difluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(3,4-difluorophenyl)-2-methylpropan-2-ol
PubChem CID145221148
Molecular FormulaC15H14ClF2N5O
Molecular Weight353.76 g/mol
Exact Mass353.09
IUPAC Name1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(3,4-difluorophenyl)-2-methylpropan-2-ol
SMILESCC(C)(O)C(Nc1cc(Cl)nc2ncnn12)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14ClF2N5O/c1-15(2,24)13(8-3-4-9(17)10(18)5-8)22-12-6-11(16)21-14-19-7-20-23(12)14/h3-7,13,22,24H,1-2H3
InChIKeyZSYIHZDKVFQARR-UHFFFAOYSA-N
XLogP2.98
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.76
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(3,4-difluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(3,4-difluorophenyl)-2-methylpropan-2-ol (CID 145221148) is 1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(3,4-difluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(3,4-difluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(3,4-difluorophenyl)-2-methylpropan-2-ol is CC(C)(O)C(Nc1cc(Cl)nc2ncnn12)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(3,4-difluorophenyl)-2-methylpropan-2-ol?
The InChIKey is ZSYIHZDKVFQARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N5O/c1-15(2,24)13(8-3-4-9(17)10(18)5-8)22-12-6-11(16)21-14-19-7-20-23(12)14/h3-7,13,22,24H,1-2H3.
What are the key properties of 1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(3,4-difluorophenyl)-2-methylpropan-2-ol?
1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(3,4-difluorophenyl)-2-methylpropan-2-ol has a molecular weight of 353.76 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(3,4-difluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 145221148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).