1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide

C9H13N7O3 — CID 114045123

IUPAC1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNNc1ncc([N+](=O)[O-])c(N2CCCC2C(N)=O)n1
InChIInChI=1S/C9H13N7O3/c10-7(17)5-2-1-3-15(5)8-6(16(18)19)4-12-9(13-8)14-11/h4-5H,1-3,11H2,(H2,10,17)(H,12,13,14)
InChIKeyVEPUBETUWFPDOF-UHFFFAOYSA-N
MW267.25 g/mol
LogP-0.88
Rot. Bonds4

About 1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide

1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 114045123) has the molecular formula C9H13N7O3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID114045123
Molecular FormulaC9H13N7O3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNNc1ncc([N+](=O)[O-])c(N2CCCC2C(N)=O)n1
InChIInChI=1S/C9H13N7O3/c10-7(17)5-2-1-3-15(5)8-6(16(18)19)4-12-9(13-8)14-11/h4-5H,1-3,11H2,(H2,10,17)(H,12,13,14)
InChIKeyVEPUBETUWFPDOF-UHFFFAOYSA-N
XLogP-0.88
TPSA153.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide
CID 80765479
1-(2-chloro-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 123766281
methyl 6-(2-carbamoylpyrrolidin-1-yl)-5-nitropyridine-2-carboxylate
CID 114403552
1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765393
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80905623
[4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine
CID 114045124
1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765748
1-(6-hydrazinyl-3-nitro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 80905319
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765390
1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide
CID 103332954
1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80904855
[1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol
CID 114044486

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 114045123) is 1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide is NNc1ncc([N+](=O)[O-])c(N2CCCC2C(N)=O)n1.
What is the InChIKey of 1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is VEPUBETUWFPDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O3/c10-7(17)5-2-1-3-15(5)8-6(16(18)19)4-12-9(13-8)14-11/h4-5H,1-3,11H2,(H2,10,17)(H,12,13,14).
What are the key properties of 1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide?
1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 267.25 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 114045123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).