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

C16H20ClN5O — CID 164690211

IUPAC(5-chloro-3-pyridinyl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1nnc2n1[C@@H](CC(C)C)CN(C(=O)c1cncc(Cl)c1)C2
InChIInChI=1S/C16H20ClN5O/c1-10(2)4-14-8-21(9-15-20-19-11(3)22(14)15)16(23)12-5-13(17)7-18-6-12/h5-7,10,14H,4,8-9H2,1-3H3/t14-/m0/s1
InChIKeyWZRPOTQPAWYDLM-AWEZNQCLSA-N
MW333.82 g/mol
LogP2.88
Rot. Bonds3

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

(5-chloro-3-pyridinyl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 164690211) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID164690211
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name(5-chloro-3-pyridinyl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1nnc2n1[C@@H](CC(C)C)CN(C(=O)c1cncc(Cl)c1)C2
InChIInChI=1S/C16H20ClN5O/c1-10(2)4-14-8-21(9-15-20-19-11(3)22(14)15)16(23)12-5-13(17)7-18-6-12/h5-7,10,14H,4,8-9H2,1-3H3/t14-/m0/s1
InChIKeyWZRPOTQPAWYDLM-AWEZNQCLSA-N
XLogP2.88
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-chloro-3-pyridinyl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

(1-methylimidazol-2-yl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164693743
methyl 6-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-3-carboxylate
CID 164700162
formic acid;methyl 5-[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-3-carboxylate
CID 166598099
2-methyl-6-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 164696162
[1-(4-aminocyclohexyl)triazol-4-yl]-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164688869
3-(benzenesulfonyl)-1-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
CID 164696920
1-[6-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]ethanone
CID 165419160
3-methyl-5-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 170928537
(5-chloro-3-pyridinyl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 56741818
[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-cyclopropyl-1,2-oxazol-5-yl)methanone
CID 164688246
5-[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 164692268
[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone
CID 164696498

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (5-chloro-3-pyridinyl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 164690211) is (5-chloro-3-pyridinyl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (5-chloro-3-pyridinyl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (5-chloro-3-pyridinyl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1nnc2n1[C@@H](CC(C)C)CN(C(=O)c1cncc(Cl)c1)C2.
What is the InChIKey of (5-chloro-3-pyridinyl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is WZRPOTQPAWYDLM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-10(2)4-14-8-21(9-15-20-19-11(3)22(14)15)16(23)12-5-13(17)7-18-6-12/h5-7,10,14H,4,8-9H2,1-3H3/t14-/m0/s1.
What are the key properties of (5-chloro-3-pyridinyl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(5-chloro-3-pyridinyl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 333.82 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl)-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164690211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).