N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate

C12H12N4O3 — CID 139074065

IUPACN-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate
SMILESO.O=C(N/N=C/c1cccc(O)c1)c1cnccn1
InChIInChI=1S/C12H10N4O2.H2O/c17-10-3-1-2-9(6-10)7-15-16-12(18)11-8-13-4-5-14-11;/h1-8,17H,(H,16,18);1H2/b15-7+;
InChIKeyTYYKFDYCLZLIDT-HAZZGOGXSA-N
MW260.25 g/mol
LogP0.12
Rot. Bonds3

About N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate

N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate (PubChem CID 139074065) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate.

Molecular Properties

Compound NameN-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate
PubChem CID139074065
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate
SMILESO.O=C(N/N=C/c1cccc(O)c1)c1cnccn1
InChIInChI=1S/C12H10N4O2.H2O/c17-10-3-1-2-9(6-10)7-15-16-12(18)11-8-13-4-5-14-11;/h1-8,17H,(H,16,18);1H2/b15-7+;
InChIKeyTYYKFDYCLZLIDT-HAZZGOGXSA-N
XLogP0.12
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 44613929
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 135635822
N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 6870358
N-[(3-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 761649
N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 760521
N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 847629
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 950063
N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
CID 939997
N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 6116232
N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 950938
N-[(Z)-(3-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 40618803

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate?
The IUPAC name of N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate (CID 139074065) is N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate.
What is the SMILES notation for N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate?
The canonical SMILES for N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate is O.O=C(N/N=C/c1cccc(O)c1)c1cnccn1.
What is the InChIKey of N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate?
The InChIKey is TYYKFDYCLZLIDT-HAZZGOGXSA-N. The full InChI is InChI=1S/C12H10N4O2.H2O/c17-10-3-1-2-9(6-10)7-15-16-12(18)11-8-13-4-5-14-11;/h1-8,17H,(H,16,18);1H2/b15-7+;.
What are the key properties of N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate?
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate has a molecular weight of 260.25 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-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate is sourced from PubChem (CID 139074065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).