1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

C14H22N6O — CID 103198752

IUPAC1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCCc1nc(NN)cc(N2CCCC3C(=O)NCC32)n1
InChIInChI=1S/C14H22N6O/c1-2-4-11-17-12(19-15)7-13(18-11)20-6-3-5-9-10(20)8-16-14(9)21/h7,9-10H,2-6,8,15H2,1H3,(H,16,21)(H,17,18,19)
InChIKeyXJYIRIWACUXLDG-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.43
Rot. Bonds4

About 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 103198752) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID103198752
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCCc1nc(NN)cc(N2CCCC3C(=O)NCC32)n1
InChIInChI=1S/C14H22N6O/c1-2-4-11-17-12(19-15)7-13(18-11)20-6-3-5-9-10(20)8-16-14(9)21/h7,9-10H,2-6,8,15H2,1H3,(H,16,21)(H,17,18,19)
InChIKeyXJYIRIWACUXLDG-UHFFFAOYSA-N
XLogP0.43
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198613
1-(6-hydrazinyl-2-pyridinyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198753
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80946575
[6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80947173
1-[6-(ethylamino)-2-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198668
1-[2-(propylamino)pyrimidin-4-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198671
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 136687978
1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194465
1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198636
4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one
CID 80947659
[2-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80936973
1-[2-(ethylamino)-4-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198642

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one (CID 103198752) is 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one is CCCc1nc(NN)cc(N2CCCC3C(=O)NCC32)n1.
What is the InChIKey of 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is XJYIRIWACUXLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-2-4-11-17-12(19-15)7-13(18-11)20-6-3-5-9-10(20)8-16-14(9)21/h7,9-10H,2-6,8,15H2,1H3,(H,16,21)(H,17,18,19).
What are the key properties of 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 290.37 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 103198752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).