[3-(cyclopropylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2R,3S)-2-ethyloxolan-3-yl]methanone

C16H24N4O2 — CID 164641035

IUPAC[3-(cyclopropylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2R,3S)-2-ethyloxolan-3-yl]methanone
SMILESCC[C@H]1OCC[C@@H]1C(=O)N1CCn2c(CC3CC3)nnc2C1
InChIInChI=1S/C16H24N4O2/c1-2-13-12(5-8-22-13)16(21)19-6-7-20-14(9-11-3-4-11)17-18-15(20)10-19/h11-13H,2-10H2,1H3/t12-,13+/m0/s1
InChIKeySROXGOHVDVUPJL-QWHCGFSZSA-N
MW304.39 g/mol
LogP1.39
Rot. Bonds4

About [3-(cyclopropylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2R,3S)-2-ethyloxolan-3-yl]methanone

[3-(cyclopropylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2R,3S)-2-ethyloxolan-3-yl]methanone (PubChem CID 164641035) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [3-(cyclopropylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2R,3S)-2-ethyloxolan-3-yl]methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2R,3S)-2-ethyloxolan-3-yl]methanone
PubChem CID164641035
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[3-(cyclopropylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2R,3S)-2-ethyloxolan-3-yl]methanone
SMILESCC[C@H]1OCC[C@@H]1C(=O)N1CCn2c(CC3CC3)nnc2C1
InChIInChI=1S/C16H24N4O2/c1-2-13-12(5-8-22-13)16(21)19-6-7-20-14(9-11-3-4-11)17-18-15(20)10-19/h11-13H,2-10H2,1H3/t12-,13+/m0/s1
InChIKeySROXGOHVDVUPJL-QWHCGFSZSA-N
XLogP1.39
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2R,3S)-2-ethyloxolan-3-yl]methanone?
The IUPAC name of [3-(cyclopropylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2R,3S)-2-ethyloxolan-3-yl]methanone (CID 164641035) is [3-(cyclopropylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2R,3S)-2-ethyloxolan-3-yl]methanone.
What is the SMILES notation for [3-(cyclopropylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2R,3S)-2-ethyloxolan-3-yl]methanone?
The canonical SMILES for [3-(cyclopropylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2R,3S)-2-ethyloxolan-3-yl]methanone is CC[C@H]1OCC[C@@H]1C(=O)N1CCn2c(CC3CC3)nnc2C1.
What is the InChIKey of [3-(cyclopropylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2R,3S)-2-ethyloxolan-3-yl]methanone?
The InChIKey is SROXGOHVDVUPJL-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-13-12(5-8-22-13)16(21)19-6-7-20-14(9-11-3-4-11)17-18-15(20)10-19/h11-13H,2-10H2,1H3/t12-,13+/m0/s1.
What are the key properties of [3-(cyclopropylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2R,3S)-2-ethyloxolan-3-yl]methanone?
[3-(cyclopropylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2R,3S)-2-ethyloxolan-3-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2R,3S)-2-ethyloxolan-3-yl]methanone is sourced from PubChem (CID 164641035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).