1-[5-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazol-1-yl]butan-2-ol

C13H16N6O — CID 131941875

IUPAC1-[5-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1ncnc1-c1cnn2cc(C)cnc12
InChIInChI=1S/C13H16N6O/c1-3-10(20)7-19-13(15-8-17-19)11-5-16-18-6-9(2)4-14-12(11)18/h4-6,8,10,20H,3,7H2,1-2H3
InChIKeyOAWYSVNRQVSRBI-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.07
Rot. Bonds4

About 1-[5-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazol-1-yl]butan-2-ol

1-[5-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazol-1-yl]butan-2-ol (PubChem CID 131941875) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[5-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[5-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazol-1-yl]butan-2-ol
PubChem CID131941875
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name1-[5-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1ncnc1-c1cnn2cc(C)cnc12
InChIInChI=1S/C13H16N6O/c1-3-10(20)7-19-13(15-8-17-19)11-5-16-18-6-9(2)4-14-12(11)18/h4-6,8,10,20H,3,7H2,1-2H3
InChIKeyOAWYSVNRQVSRBI-UHFFFAOYSA-N
XLogP1.07
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazol-1-yl]butan-2-ol with MolForge

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Related Compounds

4-[2-[(2R)-2-hydroxybutyl]-1,2,4-triazol-3-yl]benzonitrile
CID 97127838
1-[5-(3-chlorophenyl)-1,2,4-triazol-1-yl]butan-2-ol
CID 131926470
1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol
CID 131948641
6-methyl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 157036423
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanamine
CID 82502822
6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine
CID 166824971
1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanamine
CID 84717800
4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine
CID 157036389
methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 129298169
ethane;7-fluoro-6-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 142464341
2-methyl-2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)propanoic acid
CID 84724469
1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol
CID 178165955

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazol-1-yl]butan-2-ol?
The IUPAC name of 1-[5-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazol-1-yl]butan-2-ol (CID 131941875) is 1-[5-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazol-1-yl]butan-2-ol.
What is the SMILES notation for 1-[5-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazol-1-yl]butan-2-ol?
The canonical SMILES for 1-[5-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazol-1-yl]butan-2-ol is CCC(O)Cn1ncnc1-c1cnn2cc(C)cnc12.
What is the InChIKey of 1-[5-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazol-1-yl]butan-2-ol?
The InChIKey is OAWYSVNRQVSRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-3-10(20)7-19-13(15-8-17-19)11-5-16-18-6-9(2)4-14-12(11)18/h4-6,8,10,20H,3,7H2,1-2H3.
What are the key properties of 1-[5-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazol-1-yl]butan-2-ol?
1-[5-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazol-1-yl]butan-2-ol has a molecular weight of 272.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazol-1-yl]butan-2-ol is sourced from PubChem (CID 131941875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).