N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide

C10H9N5O2 — CID 170856265

IUPACN-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide
SMILESN/C(=N\NC(=O)c1ccco1)c1cnccn1
InChIInChI=1S/C10H9N5O2/c11-9(7-6-12-3-4-13-7)14-15-10(16)8-2-1-5-17-8/h1-6H,(H2,11,14)(H,15,16)
InChIKeyJHTLCHXJCAOTOO-UHFFFAOYSA-N
MW231.22 g/mol
LogP0.12
Rot. Bonds3

About N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide

N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide (PubChem CID 170856265) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide
PubChem CID170856265
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC NameN-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide
SMILESN/C(=N\NC(=O)c1ccco1)c1cnccn1
InChIInChI=1S/C10H9N5O2/c11-9(7-6-12-3-4-13-7)14-15-10(16)8-2-1-5-17-8/h1-6H,(H2,11,14)(H,15,16)
InChIKeyJHTLCHXJCAOTOO-UHFFFAOYSA-N
XLogP0.12
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylideneamino)furan-2-carboxamide
CID 15761647
N-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide
CID 136915218
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
CID 90612104
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 110745469
N-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide
CID 10356225
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide
CID 6883391
N-[4-methylsulfanyl-1-oxo-1-[2-(pyrazine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
CID 24618554
zinc;bis(N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide);methanol;diperchlorate
CID 139041708
2-phenyl-2-(pyrazine-2-carbonylhydrazinylidene)acetic acid
CID 165352129
N-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide
CID 162738457

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide (CID 170856265) is N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide is N/C(=N\NC(=O)c1ccco1)c1cnccn1.
What is the InChIKey of N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide?
The InChIKey is JHTLCHXJCAOTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2/c11-9(7-6-12-3-4-13-7)14-15-10(16)8-2-1-5-17-8/h1-6H,(H2,11,14)(H,15,16).
What are the key properties of N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide?
N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide has a molecular weight of 231.22 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide is sourced from PubChem (CID 170856265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).