(4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone

C13H19N5O — CID 109272158

IUPAC(4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
SMILESC=CCNc1cnc(C(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C13H19N5O/c1-3-4-14-12-10-15-11(9-16-12)13(19)18-7-5-17(2)6-8-18/h3,9-10H,1,4-8H2,2H3,(H,14,16)
InChIKeyDPSDFQNXPXRWGN-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.46
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone

(4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone (PubChem CID 109272158) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
PubChem CID109272158
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name(4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
SMILESC=CCNc1cnc(C(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C13H19N5O/c1-3-4-14-12-10-15-11(9-16-12)13(19)18-7-5-17(2)6-8-18/h3,9-10H,1,4-8H2,2H3,(H,14,16)
InChIKeyDPSDFQNXPXRWGN-UHFFFAOYSA-N
XLogP0.46
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone
CID 109272935
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
CID 109272206
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
CID 109272215
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
CID 109272208
(4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202285
[5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278127
(4-methylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276926
4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109272937
(4-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 109270974
[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278166
[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109272535
[5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278233

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone (CID 109272158) is (4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone is C=CCNc1cnc(C(=O)N2CCN(C)CC2)cn1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone?
The InChIKey is DPSDFQNXPXRWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-4-14-12-10-15-11(9-16-12)13(19)18-7-5-17(2)6-8-18/h3,9-10H,1,4-8H2,2H3,(H,14,16).
What are the key properties of (4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone?
(4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone has a molecular weight of 261.33 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 109272158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).