3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-5-methyl-1H-pyridin-4-one

C15H17N5O2 — CID 154736104

IUPAC3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-5-methyl-1H-pyridin-4-one
SMILESCc1c[nH]cc(C(=O)N2CCn3c(nnc3C3CC3)C2)c1=O
InChIInChI=1S/C15H17N5O2/c1-9-6-16-7-11(13(9)21)15(22)19-4-5-20-12(8-19)17-18-14(20)10-2-3-10/h6-7,10H,2-5,8H2,1H3,(H,16,21)
InChIKeyFVQNWWBPDYZFRD-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.81
Rot. Bonds2

About 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-5-methyl-1H-pyridin-4-one

3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-5-methyl-1H-pyridin-4-one (PubChem CID 154736104) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-5-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-5-methyl-1H-pyridin-4-one
PubChem CID154736104
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-5-methyl-1H-pyridin-4-one
SMILESCc1c[nH]cc(C(=O)N2CCn3c(nnc3C3CC3)C2)c1=O
InChIInChI=1S/C15H17N5O2/c1-9-6-16-7-11(13(9)21)15(22)19-4-5-20-12(8-19)17-18-14(20)10-2-3-10/h6-7,10H,2-5,8H2,1H3,(H,16,21)
InChIKeyFVQNWWBPDYZFRD-UHFFFAOYSA-N
XLogP0.81
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-chloro-3-pyridinyl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 134795555
1-[4-[7-(4-chlorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone
CID 92622785
(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-methoxy-1H-indol-2-yl)methanone
CID 16668671
(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone
CID 73305376
5,6-dimethyl-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70711804
4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 16672214
1-[2-[7-(2-methoxy-3-methylbenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-1-yl]ethanone
CID 110263593
2-carbazol-9-yl-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 16675009
(4-methoxyphenyl)-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 134795386
1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-hydroxyphenyl)ethanone
CID 126470032
(2-methyl-5-methylsulfanylphenyl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120824065
(2-methyl-1H-indol-3-yl)-[3-(1-methylpiperidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methanone
CID 92623778

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-5-methyl-1H-pyridin-4-one?
The IUPAC name of 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-5-methyl-1H-pyridin-4-one (CID 154736104) is 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-5-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-5-methyl-1H-pyridin-4-one?
The canonical SMILES for 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-5-methyl-1H-pyridin-4-one is Cc1c[nH]cc(C(=O)N2CCn3c(nnc3C3CC3)C2)c1=O.
What is the InChIKey of 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-5-methyl-1H-pyridin-4-one?
The InChIKey is FVQNWWBPDYZFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-9-6-16-7-11(13(9)21)15(22)19-4-5-20-12(8-19)17-18-14(20)10-2-3-10/h6-7,10H,2-5,8H2,1H3,(H,16,21).
What are the key properties of 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-5-methyl-1H-pyridin-4-one?
3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-5-methyl-1H-pyridin-4-one has a molecular weight of 299.33 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-5-methyl-1H-pyridin-4-one is sourced from PubChem (CID 154736104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).