7-(1-methylpyrazol-4-yl)-2-(oxolan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C13H18N6O — CID 136839709

IUPAC7-(1-methylpyrazol-4-yl)-2-(oxolan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCn1cc(C2CCNc3nc(C4CCCO4)nn32)cn1
InChIInChI=1S/C13H18N6O/c1-18-8-9(7-15-18)10-4-5-14-13-16-12(17-19(10)13)11-3-2-6-20-11/h7-8,10-11H,2-6H2,1H3,(H,14,16,17)
InChIKeyHTWOZYQHWZWFTG-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.27
Rot. Bonds2

About 7-(1-methylpyrazol-4-yl)-2-(oxolan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(1-methylpyrazol-4-yl)-2-(oxolan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136839709) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 7-(1-methylpyrazol-4-yl)-2-(oxolan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-methylpyrazol-4-yl)-2-(oxolan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136839709
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name7-(1-methylpyrazol-4-yl)-2-(oxolan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCn1cc(C2CCNc3nc(C4CCCO4)nn32)cn1
InChIInChI=1S/C13H18N6O/c1-18-8-9(7-15-18)10-4-5-14-13-16-12(17-19(10)13)11-3-2-6-20-11/h7-8,10-11H,2-6H2,1H3,(H,14,16,17)
InChIKeyHTWOZYQHWZWFTG-UHFFFAOYSA-N
XLogP1.27
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-4-yl)-2-(oxolan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-methylpyrazol-4-yl)-2-(oxolan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136839709) is 7-(1-methylpyrazol-4-yl)-2-(oxolan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-methylpyrazol-4-yl)-2-(oxolan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-methylpyrazol-4-yl)-2-(oxolan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is Cn1cc(C2CCNc3nc(C4CCCO4)nn32)cn1.
What is the InChIKey of 7-(1-methylpyrazol-4-yl)-2-(oxolan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is HTWOZYQHWZWFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-18-8-9(7-15-18)10-4-5-14-13-16-12(17-19(10)13)11-3-2-6-20-11/h7-8,10-11H,2-6H2,1H3,(H,14,16,17).
What are the key properties of 7-(1-methylpyrazol-4-yl)-2-(oxolan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(1-methylpyrazol-4-yl)-2-(oxolan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 274.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-4-yl)-2-(oxolan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136839709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).