4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide

C12H18N6O3 — CID 100573962

IUPAC4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide
SMILESN/C(=N\c1ccc([N+](=O)[O-])cn1)N1CCN(CCO)CC1
InChIInChI=1S/C12H18N6O3/c13-12(17-5-3-16(4-6-17)7-8-19)15-11-2-1-10(9-14-11)18(20)21/h1-2,9,19H,3-8H2,(H2,13,14,15)
InChIKeyRBSPMHRVMFANAW-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.45
Rot. Bonds4

About 4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide

4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide (PubChem CID 100573962) has the molecular formula C12H18N6O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide
PubChem CID100573962
Molecular FormulaC12H18N6O3
Molecular Weight294.31 g/mol
Exact Mass294.14
IUPAC Name4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide
SMILESN/C(=N\c1ccc([N+](=O)[O-])cn1)N1CCN(CCO)CC1
InChIInChI=1S/C12H18N6O3/c13-12(17-5-3-16(4-6-17)7-8-19)15-11-2-1-10(9-14-11)18(20)21/h1-2,9,19H,3-8H2,(H2,13,14,15)
InChIKeyRBSPMHRVMFANAW-UHFFFAOYSA-N
XLogP-0.45
TPSA121.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide 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

N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 100573733
(3S)-3-methyl-N'-(5-nitro-2-pyridinyl)piperidine-1-carboximidamide
CID 124908137
4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide
CID 100574103
(2-amino-5-nitro-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 104585562
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone
CID 43390899
2-(5-nitro-2-pyridinyl)-1-phenylguanidine
CID 100573340
[4-(2-hydroxyethyl)piperazin-1-yl]-(2-methyl-5-nitrophenyl)methanone
CID 61292274
(E)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-enenitrile
CID 111825426
2-hydroxyethyl 4-(5-nitro-2-pyridinyl)piperazine-1-carboxylate
CID 79342229
1-[2-(4-nitrophenoxy)ethyl]pyrrolidine;2-pyrrolidin-1-ylethanol
CID 158202191
[4-(2-hydroxyethyl)piperazin-1-yl]-(5-nitro-2-pyrrolidin-1-ylphenyl)methanone
CID 78800198
4-(4-nitrophenyl)-2-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanamide
CID 101404714

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide (CID 100573962) is 4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide is N/C(=N\c1ccc([N+](=O)[O-])cn1)N1CCN(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide?
The InChIKey is RBSPMHRVMFANAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O3/c13-12(17-5-3-16(4-6-17)7-8-19)15-11-2-1-10(9-14-11)18(20)21/h1-2,9,19H,3-8H2,(H2,13,14,15).
What are the key properties of 4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide?
4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide has a molecular weight of 294.31 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide is sourced from PubChem (CID 100573962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).