7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C15H21N5O — CID 80637251

IUPAC7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NCC2CN(c3ccc(CNC4CC4)cn3)CCN12
InChIInChI=1S/C15H21N5O/c21-15-18-9-13-10-19(5-6-20(13)15)14-4-1-11(8-17-14)7-16-12-2-3-12/h1,4,8,12-13,16H,2-3,5-7,9-10H2,(H,18,21)
InChIKeyNUDCMRUKMFPEPE-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.55
Rot. Bonds4

About 7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 80637251) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID80637251
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NCC2CN(c3ccc(CNC4CC4)cn3)CCN12
InChIInChI=1S/C15H21N5O/c21-15-18-9-13-10-19(5-6-20(13)15)14-4-1-11(8-17-14)7-16-12-2-3-12/h1,4,8,12-13,16H,2-3,5-7,9-10H2,(H,18,21)
InChIKeyNUDCMRUKMFPEPE-UHFFFAOYSA-N
XLogP0.55
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 63621276
4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 80635605
1-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-3-methylpiperidin-4-ol
CID 114679337
N-[[6-(4,4-diethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 63160054
7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 115487083
(8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 95974307
7-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091898
6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile
CID 71860442
(3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine
CID 97224310
7-[6-(ethylamino)-2-methylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80848239
7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095260
N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 55078600

Frequently Asked Questions

What is the IUPAC name of 7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 80637251) is 7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1NCC2CN(c3ccc(CNC4CC4)cn3)CCN12.
What is the InChIKey of 7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is NUDCMRUKMFPEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c21-15-18-9-13-10-19(5-6-20(13)15)14-4-1-11(8-17-14)7-16-12-2-3-12/h1,4,8,12-13,16H,2-3,5-7,9-10H2,(H,18,21).
What are the key properties of 7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 287.37 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 80637251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).