formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C19H25N7O4 — CID 166598304

IUPACformic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cnn3ccn(C)c23)Cc2nnc(C3CCOCC3)n21.O=CO
InChIInChI=1S/C18H23N7O2.CH2O2/c1-12-10-23(18(26)14-9-19-24-6-5-22(2)17(14)24)11-15-20-21-16(25(12)15)13-3-7-27-8-4-13;2-1-3/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3;1H,(H,2,3)/t12-;/m0./s1
InChIKeyQVXNRKBYJXKFIJ-YDALLXLXSA-N
MW415.45 g/mol
LogP1.08
Rot. Bonds2

About formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 166598304) has the molecular formula C19H25N7O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Nameformic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID166598304
Molecular FormulaC19H25N7O4
Molecular Weight415.45 g/mol
Exact Mass415.20
IUPAC Nameformic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cnn3ccn(C)c23)Cc2nnc(C3CCOCC3)n21.O=CO
InChIInChI=1S/C18H23N7O2.CH2O2/c1-12-10-23(18(26)14-9-19-24-6-5-22(2)17(14)24)11-15-20-21-16(25(12)15)13-3-7-27-8-4-13;2-1-3/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3;1H,(H,2,3)/t12-;/m0./s1
InChIKeyQVXNRKBYJXKFIJ-YDALLXLXSA-N
XLogP1.08
TPSA119.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 166598304) is formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is C[C@H]1CN(C(=O)c2cnn3ccn(C)c23)Cc2nnc(C3CCOCC3)n21.O=CO.
What is the InChIKey of formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is QVXNRKBYJXKFIJ-YDALLXLXSA-N. The full InChI is InChI=1S/C18H23N7O2.CH2O2/c1-12-10-23(18(26)14-9-19-24-6-5-22(2)17(14)24)11-15-20-21-16(25(12)15)13-3-7-27-8-4-13;2-1-3/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3;1H,(H,2,3)/t12-;/m0./s1.
What are the key properties of formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 415.45 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 166598304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).