3-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]aniline

C21H24N6 — CID 142523031

IUPAC3-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]aniline
SMILESC=C(NC)c1nc(-c2cccc(N)c2)n2c1CN(C(=C)c1ccc[nH]1)CC2
InChIInChI=1S/C21H24N6/c1-14(23-3)20-19-13-26(15(2)18-8-5-9-24-18)10-11-27(19)21(25-20)16-6-4-7-17(22)12-16/h4-9,12,23-24H,1-2,10-11,13,22H2,3H3
InChIKeyHMNJSLJSILIGGY-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.14
Rot. Bonds5

About 3-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]aniline

3-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]aniline (PubChem CID 142523031) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 3-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]aniline.

Molecular Properties

Compound Name3-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]aniline
PubChem CID142523031
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name3-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]aniline
SMILESC=C(NC)c1nc(-c2cccc(N)c2)n2c1CN(C(=C)c1ccc[nH]1)CC2
InChIInChI=1S/C21H24N6/c1-14(23-3)20-19-13-26(15(2)18-8-5-9-24-18)10-11-27(19)21(25-20)16-6-4-7-17(22)12-16/h4-9,12,23-24H,1-2,10-11,13,22H2,3H3
InChIKeyHMNJSLJSILIGGY-UHFFFAOYSA-N
XLogP3.14
TPSA74.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]aniline?
The IUPAC name of 3-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]aniline (CID 142523031) is 3-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]aniline.
What is the SMILES notation for 3-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]aniline?
The canonical SMILES for 3-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]aniline is C=C(NC)c1nc(-c2cccc(N)c2)n2c1CN(C(=C)c1ccc[nH]1)CC2.
What is the InChIKey of 3-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]aniline?
The InChIKey is HMNJSLJSILIGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-14(23-3)20-19-13-26(15(2)18-8-5-9-24-18)10-11-27(19)21(25-20)16-6-4-7-17(22)12-16/h4-9,12,23-24H,1-2,10-11,13,22H2,3H3.
What are the key properties of 3-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]aniline?
3-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]aniline has a molecular weight of 360.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]aniline is sourced from PubChem (CID 142523031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).