N'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide

C16H17N7O4 — CID 24616065

IUPACN'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide
SMILESO=C(NNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cnccn1
InChIInChI=1S/C16H17N7O4/c24-15(14-11-17-5-6-18-14)19-20-16(25)22-9-7-21(8-10-22)12-1-3-13(4-2-12)23(26)27/h1-6,11H,7-10H2,(H,19,24)(H,20,25)
InChIKeyQKOBBEHMWNFEOZ-UHFFFAOYSA-N
MW371.36 g/mol
LogP0.56
Rot. Bonds3

About N'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide

N'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide (PubChem CID 24616065) has the molecular formula C16H17N7O4 and a molecular weight of 371.36 g/mol. Its IUPAC name is N'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide
PubChem CID24616065
Molecular FormulaC16H17N7O4
Molecular Weight371.36 g/mol
Exact Mass371.13
IUPAC NameN'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide
SMILESO=C(NNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cnccn1
InChIInChI=1S/C16H17N7O4/c24-15(14-11-17-5-6-18-14)19-20-16(25)22-9-7-21(8-10-22)12-1-3-13(4-2-12)23(26)27/h1-6,11H,7-10H2,(H,19,24)(H,20,25)
InChIKeyQKOBBEHMWNFEOZ-UHFFFAOYSA-N
XLogP0.56
TPSA133.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 25359833
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
CID 2838036
N-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 4991386
N-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336035
N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]acetamide
CID 17099339
N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide
CID 3127347
N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336017
N-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 3836792
N-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]pyridine-3-carboxamide
CID 2918860
N-(benzenesulfonyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 171476486
(4-methylpiperazin-1-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 58993930

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide (CID 24616065) is N'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide is O=C(NNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cnccn1.
What is the InChIKey of N'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide?
The InChIKey is QKOBBEHMWNFEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O4/c24-15(14-11-17-5-6-18-14)19-20-16(25)22-9-7-21(8-10-22)12-1-3-13(4-2-12)23(26)27/h1-6,11H,7-10H2,(H,19,24)(H,20,25).
What are the key properties of N'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide?
N'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide has a molecular weight of 371.36 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 24616065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).