2-(cyclopropylmethyl)-7-(1,5-dimethylpyrazole-3-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C15H20N6O2 — CID 155881559

IUPAC2-(cyclopropylmethyl)-7-(1,5-dimethylpyrazole-3-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1cc(C(=O)N2CCn3c(nn(CC4CC4)c3=O)C2)nn1C
InChIInChI=1S/C15H20N6O2/c1-10-7-12(16-18(10)2)14(22)19-5-6-20-13(9-19)17-21(15(20)23)8-11-3-4-11/h7,11H,3-6,8-9H2,1-2H3
InChIKeyNOKGAMPNDCAHML-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.15
Rot. Bonds3

About 2-(cyclopropylmethyl)-7-(1,5-dimethylpyrazole-3-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(cyclopropylmethyl)-7-(1,5-dimethylpyrazole-3-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 155881559) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-7-(1,5-dimethylpyrazole-3-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-7-(1,5-dimethylpyrazole-3-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID155881559
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name2-(cyclopropylmethyl)-7-(1,5-dimethylpyrazole-3-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1cc(C(=O)N2CCn3c(nn(CC4CC4)c3=O)C2)nn1C
InChIInChI=1S/C15H20N6O2/c1-10-7-12(16-18(10)2)14(22)19-5-6-20-13(9-19)17-21(15(20)23)8-11-3-4-11/h7,11H,3-6,8-9H2,1-2H3
InChIKeyNOKGAMPNDCAHML-UHFFFAOYSA-N
XLogP0.15
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-7-(1,5-dimethylpyrazole-3-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-7-(1,5-dimethylpyrazole-3-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 155881559) is 2-(cyclopropylmethyl)-7-(1,5-dimethylpyrazole-3-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-7-(1,5-dimethylpyrazole-3-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-7-(1,5-dimethylpyrazole-3-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is Cc1cc(C(=O)N2CCn3c(nn(CC4CC4)c3=O)C2)nn1C.
What is the InChIKey of 2-(cyclopropylmethyl)-7-(1,5-dimethylpyrazole-3-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is NOKGAMPNDCAHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10-7-12(16-18(10)2)14(22)19-5-6-20-13(9-19)17-21(15(20)23)8-11-3-4-11/h7,11H,3-6,8-9H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-7-(1,5-dimethylpyrazole-3-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(cyclopropylmethyl)-7-(1,5-dimethylpyrazole-3-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 316.37 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-7-(1,5-dimethylpyrazole-3-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 155881559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).