N,N-bis(cyanomethyl)-5-hydrazinylpyrazine-2-carboxamide

C9H9N7O — CID 107377426

IUPACN,N-bis(cyanomethyl)-5-hydrazinylpyrazine-2-carboxamide
SMILESN#CCN(CC#N)C(=O)c1cnc(NN)cn1
InChIInChI=1S/C9H9N7O/c10-1-3-16(4-2-11)9(17)7-5-14-8(15-12)6-13-7/h5-6H,3-4,12H2,(H,14,15)
InChIKeyAMCBKZZJZDRPHM-UHFFFAOYSA-N
MW231.22 g/mol
LogP-0.75
Rot. Bonds4

About N,N-bis(cyanomethyl)-5-hydrazinylpyrazine-2-carboxamide

N,N-bis(cyanomethyl)-5-hydrazinylpyrazine-2-carboxamide (PubChem CID 107377426) has the molecular formula C9H9N7O and a molecular weight of 231.22 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-5-hydrazinylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-5-hydrazinylpyrazine-2-carboxamide
PubChem CID107377426
Molecular FormulaC9H9N7O
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC NameN,N-bis(cyanomethyl)-5-hydrazinylpyrazine-2-carboxamide
SMILESN#CCN(CC#N)C(=O)c1cnc(NN)cn1
InChIInChI=1S/C9H9N7O/c10-1-3-16(4-2-11)9(17)7-5-14-8(15-12)6-13-7/h5-6H,3-4,12H2,(H,14,15)
InChIKeyAMCBKZZJZDRPHM-UHFFFAOYSA-N
XLogP-0.75
TPSA131.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-hydrazinyl-N,N-bis(2-hydroxyethyl)pyrazine-2-carboxamide
CID 107377624
N-ethyl-5-hydrazinyl-N-propylpyrazine-2-carboxamide
CID 107378064
5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide
CID 63718638
N-(cyclobutylmethyl)-5-hydrazinyl-N-methylpyrazine-2-carboxamide
CID 107378190
5-hydrazinyl-N-methyl-N-pentan-2-ylpyrazine-2-carboxamide
CID 107377494
5-hydrazinyl-N-(3-hydroxybutyl)-N-methylpyrazine-2-carboxamide
CID 107378664
N-(2-fluoroethyl)-5-hydrazinylpyrazine-2-carboxamide
CID 130504959
N-(2,2-dimethylpropyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377627
N,N-bis(cyanomethyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62186917
(3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378752
5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 107377524
N,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide
CID 55042439

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-5-hydrazinylpyrazine-2-carboxamide?
The IUPAC name of N,N-bis(cyanomethyl)-5-hydrazinylpyrazine-2-carboxamide (CID 107377426) is N,N-bis(cyanomethyl)-5-hydrazinylpyrazine-2-carboxamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-5-hydrazinylpyrazine-2-carboxamide?
The canonical SMILES for N,N-bis(cyanomethyl)-5-hydrazinylpyrazine-2-carboxamide is N#CCN(CC#N)C(=O)c1cnc(NN)cn1.
What is the InChIKey of N,N-bis(cyanomethyl)-5-hydrazinylpyrazine-2-carboxamide?
The InChIKey is AMCBKZZJZDRPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7O/c10-1-3-16(4-2-11)9(17)7-5-14-8(15-12)6-13-7/h5-6H,3-4,12H2,(H,14,15).
What are the key properties of N,N-bis(cyanomethyl)-5-hydrazinylpyrazine-2-carboxamide?
N,N-bis(cyanomethyl)-5-hydrazinylpyrazine-2-carboxamide has a molecular weight of 231.22 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-5-hydrazinylpyrazine-2-carboxamide is sourced from PubChem (CID 107377426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).