[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(methylamino)-3-pyridinyl]methanone

C16H20N6O — CID 164690316

IUPAC[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncccc1C(=O)N1Cc2nnc(C3CC3)n2[C@@H](C)C1
InChIInChI=1S/C16H20N6O/c1-10-8-21(16(23)12-4-3-7-18-14(12)17-2)9-13-19-20-15(22(10)13)11-5-6-11/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyGWCQWPZLMIMPIJ-JTQLQIEISA-N
MW312.38 g/mol
LogP1.81
Rot. Bonds3

About [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(methylamino)-3-pyridinyl]methanone

[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(methylamino)-3-pyridinyl]methanone (PubChem CID 164690316) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(methylamino)-3-pyridinyl]methanone
PubChem CID164690316
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncccc1C(=O)N1Cc2nnc(C3CC3)n2[C@@H](C)C1
InChIInChI=1S/C16H20N6O/c1-10-8-21(16(23)12-4-3-7-18-14(12)17-2)9-13-19-20-15(22(10)13)11-5-6-11/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyGWCQWPZLMIMPIJ-JTQLQIEISA-N
XLogP1.81
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-6-ylmethanone
CID 164692394
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 164695077
(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62166241
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 164693666
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
CID 165421979
(2-methoxy-3-pyridinyl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 172659988
N-[3-[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-fluorophenyl]pyridine-3-carboxamide
CID 176505552
[(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 170939364
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 164691948
[4-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 62185539
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(methylamino)-3-pyridinyl]methanone
CID 79945624

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(methylamino)-3-pyridinyl]methanone (CID 164690316) is [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(methylamino)-3-pyridinyl]methanone is CNc1ncccc1C(=O)N1Cc2nnc(C3CC3)n2[C@@H](C)C1.
What is the InChIKey of [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(methylamino)-3-pyridinyl]methanone?
The InChIKey is GWCQWPZLMIMPIJ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20N6O/c1-10-8-21(16(23)12-4-3-7-18-14(12)17-2)9-13-19-20-15(22(10)13)11-5-6-11/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,17,18)/t10-/m0/s1.
What are the key properties of [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(methylamino)-3-pyridinyl]methanone?
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(methylamino)-3-pyridinyl]methanone has a molecular weight of 312.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 164690316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).