N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyrazine-2-carboximidamide

C19H17N7O2 — CID 170856215

IUPACN'-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyrazine-2-carboximidamide
SMILESN/C(=N/N=C\c1ccccc1O)c1nccnc1N/N=C/c1ccccc1O
InChIInChI=1S/C19H17N7O2/c20-18(25-23-11-13-5-1-3-7-15(13)27)17-19(22-10-9-21-17)26-24-12-14-6-2-4-8-16(14)28/h1-12,27-28H,(H2,20,25)(H,22,26)/b23-11-,24-12+
InChIKeyUMOBTRUZHFEFSN-QEUMEHMPSA-N
MW375.39 g/mol
LogP2.07
Rot. Bonds6

About N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyrazine-2-carboximidamide

N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyrazine-2-carboximidamide (PubChem CID 170856215) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyrazine-2-carboximidamide
PubChem CID170856215
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC NameN'-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyrazine-2-carboximidamide
SMILESN/C(=N/N=C\c1ccccc1O)c1nccnc1N/N=C/c1ccccc1O
InChIInChI=1S/C19H17N7O2/c20-18(25-23-11-13-5-1-3-7-15(13)27)17-19(22-10-9-21-17)26-24-12-14-6-2-4-8-16(14)28/h1-12,27-28H,(H2,20,25)(H,22,26)/b23-11-,24-12+
InChIKeyUMOBTRUZHFEFSN-QEUMEHMPSA-N
XLogP2.07
TPSA141.37 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol
CID 135506502
1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine
CID 136795111
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[[[4-[(E)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]carbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methylamino]-1,2,5-oxadiazole-3-carboximidamide
CID 135699256
2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol
CID 135713775
2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439965
2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3091226
1-hydroxy-2-[(2-hydroxyphenyl)methylideneamino]guanidine
CID 142114039
2-[(E)-[(4-amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]phenol
CID 135439758
2-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]phenol
CID 3889042
2-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 2789386
2-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]phenol;hydrochloride
CID 136666616
2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 136672918

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyrazine-2-carboximidamide?
The IUPAC name of N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyrazine-2-carboximidamide (CID 170856215) is N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyrazine-2-carboximidamide?
The canonical SMILES for N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyrazine-2-carboximidamide is N/C(=N/N=C\c1ccccc1O)c1nccnc1N/N=C/c1ccccc1O.
What is the InChIKey of N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyrazine-2-carboximidamide?
The InChIKey is UMOBTRUZHFEFSN-QEUMEHMPSA-N. The full InChI is InChI=1S/C19H17N7O2/c20-18(25-23-11-13-5-1-3-7-15(13)27)17-19(22-10-9-21-17)26-24-12-14-6-2-4-8-16(14)28/h1-12,27-28H,(H2,20,25)(H,22,26)/b23-11-,24-12+.
What are the key properties of N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyrazine-2-carboximidamide?
N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyrazine-2-carboximidamide has a molecular weight of 375.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyrazine-2-carboximidamide is sourced from PubChem (CID 170856215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).