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

C19H25N5O2 — CID 164693925

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-methoxy-4-pyridinyl)methanone
SMILESCOc1cnccc1C(=O)N1CCn2nc(C3CC3)nc2[C@@H]1CC(C)C
InChIInChI=1S/C19H25N5O2/c1-12(2)10-15-18-21-17(13-4-5-13)22-24(18)9-8-23(15)19(25)14-6-7-20-11-16(14)26-3/h6-7,11-13,15H,4-5,8-10H2,1-3H3/t15-/m0/s1
InChIKeyHRLTVWGMVUFDJK-HNNXBMFYSA-N
MW355.44 g/mol
LogP2.80
Rot. Bonds5

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

[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-methoxy-4-pyridinyl)methanone (PubChem CID 164693925) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-methoxy-4-pyridinyl)methanone
PubChem CID164693925
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-methoxy-4-pyridinyl)methanone
SMILESCOc1cnccc1C(=O)N1CCn2nc(C3CC3)nc2[C@@H]1CC(C)C
InChIInChI=1S/C19H25N5O2/c1-12(2)10-15-18-21-17(13-4-5-13)22-24(18)9-8-23(15)19(25)14-6-7-20-11-16(14)26-3/h6-7,11-13,15H,4-5,8-10H2,1-3H3/t15-/m0/s1
InChIKeyHRLTVWGMVUFDJK-HNNXBMFYSA-N
XLogP2.80
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-methoxy-4-pyridinyl)methanone?
The IUPAC name of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-methoxy-4-pyridinyl)methanone (CID 164693925) is [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-methoxy-4-pyridinyl)methanone?
The canonical SMILES for [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-methoxy-4-pyridinyl)methanone is COc1cnccc1C(=O)N1CCn2nc(C3CC3)nc2[C@@H]1CC(C)C.
What is the InChIKey of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-methoxy-4-pyridinyl)methanone?
The InChIKey is HRLTVWGMVUFDJK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12(2)10-15-18-21-17(13-4-5-13)22-24(18)9-8-23(15)19(25)14-6-7-20-11-16(14)26-3/h6-7,11-13,15H,4-5,8-10H2,1-3H3/t15-/m0/s1.
What are the key properties of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-methoxy-4-pyridinyl)methanone?
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-methoxy-4-pyridinyl)methanone has a molecular weight of 355.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 164693925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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