7-cyclopropyl-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one

C14H15N5O — CID 163315390

IUPAC7-cyclopropyl-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCC1C(=O)N(C2CC2)Cc2nnc(-c3cccnc3)n21
InChIInChI=1S/C14H15N5O/c1-9-14(20)18(11-4-5-11)8-12-16-17-13(19(9)12)10-3-2-6-15-7-10/h2-3,6-7,9,11H,4-5,8H2,1H3
InChIKeyXKTDTNISHZXFED-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.41
Rot. Bonds2

About 7-cyclopropyl-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one

7-cyclopropyl-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 163315390) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 7-cyclopropyl-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

Compound Name7-cyclopropyl-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
PubChem CID163315390
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name7-cyclopropyl-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCC1C(=O)N(C2CC2)Cc2nnc(-c3cccnc3)n21
InChIInChI=1S/C14H15N5O/c1-9-14(20)18(11-4-5-11)8-12-16-17-13(19(9)12)10-3-2-6-15-7-10/h2-3,6-7,9,11H,4-5,8H2,1H3
InChIKeyXKTDTNISHZXFED-UHFFFAOYSA-N
XLogP1.41
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,7S)-7-methyl-5-pyridin-3-yl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-2,4-dien-8-one
CID 164692146
(5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163318084
7-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163316819
(5S)-5-benzyl-7-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 164697314
(5R)-5-benzyl-7-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163310605
(5S)-5-methyl-7-(2-phenylethyl)-3-pyridin-4-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163318787
(5S)-7-(2-methoxyethyl)-3-(3-methoxyphenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 164690969
2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylacetamide
CID 8917020
2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 8916607
N-cyclopropyl-3-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 118740493
(2S)-N-tert-butyl-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8997803
1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methylcyclohexan-1-ol
CID 111476295

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The IUPAC name of 7-cyclopropyl-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 163315390) is 7-cyclopropyl-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.
What is the SMILES notation for 7-cyclopropyl-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The canonical SMILES for 7-cyclopropyl-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is CC1C(=O)N(C2CC2)Cc2nnc(-c3cccnc3)n21.
What is the InChIKey of 7-cyclopropyl-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The InChIKey is XKTDTNISHZXFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-14(20)18(11-4-5-11)8-12-16-17-13(19(9)12)10-3-2-6-15-7-10/h2-3,6-7,9,11H,4-5,8H2,1H3.
What are the key properties of 7-cyclopropyl-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
7-cyclopropyl-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 269.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 163315390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).