1-[5-[2-(1,2,4-triazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol

C13H20N6O — CID 91763338

IUPAC1-[5-[2-(1,2,4-triazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
SMILESCCC(O)c1cc2n(n1)CCN(CCn1cnnc1)C2
InChIInChI=1S/C13H20N6O/c1-2-13(20)12-7-11-8-17(5-6-19(11)16-12)3-4-18-9-14-15-10-18/h7,9-10,13,20H,2-6,8H2,1H3
InChIKeyONUUQWYVOGCFBS-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.43
Rot. Bonds5

About 1-[5-[2-(1,2,4-triazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol

1-[5-[2-(1,2,4-triazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol (PubChem CID 91763338) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[5-[2-(1,2,4-triazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-[2-(1,2,4-triazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
PubChem CID91763338
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-[5-[2-(1,2,4-triazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
SMILESCCC(O)c1cc2n(n1)CCN(CCn1cnnc1)C2
InChIInChI=1S/C13H20N6O/c1-2-13(20)12-7-11-8-17(5-6-19(11)16-12)3-4-18-9-14-15-10-18/h7,9-10,13,20H,2-6,8H2,1H3
InChIKeyONUUQWYVOGCFBS-UHFFFAOYSA-N
XLogP0.43
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(1,2,4-triazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
The IUPAC name of 1-[5-[2-(1,2,4-triazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol (CID 91763338) is 1-[5-[2-(1,2,4-triazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol.
What is the SMILES notation for 1-[5-[2-(1,2,4-triazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
The canonical SMILES for 1-[5-[2-(1,2,4-triazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol is CCC(O)c1cc2n(n1)CCN(CCn1cnnc1)C2.
What is the InChIKey of 1-[5-[2-(1,2,4-triazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
The InChIKey is ONUUQWYVOGCFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-2-13(20)12-7-11-8-17(5-6-19(11)16-12)3-4-18-9-14-15-10-18/h7,9-10,13,20H,2-6,8H2,1H3.
What are the key properties of 1-[5-[2-(1,2,4-triazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
1-[5-[2-(1,2,4-triazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol has a molecular weight of 276.34 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(1,2,4-triazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol is sourced from PubChem (CID 91763338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).