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

C16H21N5O2 — CID 164694296

IUPAC1-methyl-5-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
SMILESCC(C)c1nnc2n1[C@@H](C)CN(C(=O)c1ccc(=O)n(C)c1)C2
InChIInChI=1S/C16H21N5O2/c1-10(2)15-18-17-13-9-20(7-11(3)21(13)15)16(23)12-5-6-14(22)19(4)8-12/h5-6,8,10-11H,7,9H2,1-4H3/t11-/m0/s1
InChIKeyGYZKGAQBRNTFHQ-NSHDSACASA-N
MW315.38 g/mol
LogP1.32
Rot. Bonds2

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

1-methyl-5-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one (PubChem CID 164694296) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-methyl-5-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
PubChem CID164694296
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-methyl-5-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
SMILESCC(C)c1nnc2n1[C@@H](C)CN(C(=O)c1ccc(=O)n(C)c1)C2
InChIInChI=1S/C16H21N5O2/c1-10(2)15-18-17-13-9-20(7-11(3)21(13)15)16(23)12-5-6-14(22)19(4)8-12/h5-6,8,10-11H,7,9H2,1-4H3/t11-/m0/s1
InChIKeyGYZKGAQBRNTFHQ-NSHDSACASA-N
XLogP1.32
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one (CID 164694296) is 1-methyl-5-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one is CC(C)c1nnc2n1[C@@H](C)CN(C(=O)c1ccc(=O)n(C)c1)C2.
What is the InChIKey of 1-methyl-5-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The InChIKey is GYZKGAQBRNTFHQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10(2)15-18-17-13-9-20(7-11(3)21(13)15)16(23)12-5-6-14(22)19(4)8-12/h5-6,8,10-11H,7,9H2,1-4H3/t11-/m0/s1.
What are the key properties of 1-methyl-5-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
1-methyl-5-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one has a molecular weight of 315.38 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one is sourced from PubChem (CID 164694296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).