1-[3-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)propyl]pyrrolidin-2-one

C11H18N6O2 — CID 151079198

IUPAC1-[3-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)propyl]pyrrolidin-2-one
SMILESCOc1nc(CCCN2CCCC2=O)nc(NN)n1
InChIInChI=1S/C11H18N6O2/c1-19-11-14-8(13-10(15-11)16-12)4-2-6-17-7-3-5-9(17)18/h2-7,12H2,1H3,(H,13,14,15,16)
InChIKeyMJTMJWRPMHWVBQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.28
Rot. Bonds6

About 1-[3-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)propyl]pyrrolidin-2-one

1-[3-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)propyl]pyrrolidin-2-one (PubChem CID 151079198) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[3-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)propyl]pyrrolidin-2-one
PubChem CID151079198
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name1-[3-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)propyl]pyrrolidin-2-one
SMILESCOc1nc(CCCN2CCCC2=O)nc(NN)n1
InChIInChI=1S/C11H18N6O2/c1-19-11-14-8(13-10(15-11)16-12)4-2-6-17-7-3-5-9(17)18/h2-7,12H2,1H3,(H,13,14,15,16)
InChIKeyMJTMJWRPMHWVBQ-UHFFFAOYSA-N
XLogP-0.28
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117083958
1-[3-[dimethoxy(methyl)silyl]propyl]pyrrolidin-2-one
CID 19753601
1-[3-(2-methoxyethylamino)propyl]pyrrolidin-2-one
CID 60720084
(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
CID 97146889
3-(2-oxopyrrolidin-1-yl)propyl acetate
CID 71390643
1-(4,4-dimethylpentyl)pyrrolidin-2-one
CID 23542009
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
CID 56604167
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium
CID 23918
3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite
CID 177176596

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)propyl]pyrrolidin-2-one (CID 151079198) is 1-[3-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)propyl]pyrrolidin-2-one is COc1nc(CCCN2CCCC2=O)nc(NN)n1.
What is the InChIKey of 1-[3-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)propyl]pyrrolidin-2-one?
The InChIKey is MJTMJWRPMHWVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-19-11-14-8(13-10(15-11)16-12)4-2-6-17-7-3-5-9(17)18/h2-7,12H2,1H3,(H,13,14,15,16).
What are the key properties of 1-[3-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)propyl]pyrrolidin-2-one?
1-[3-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)propyl]pyrrolidin-2-one has a molecular weight of 266.30 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 151079198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).