4-amino-N-(4-methylpiperazin-1-yl)-1,2,5-oxadiazole-3-carboxamide

C8H14N6O2 — CID 83015855

IUPAC4-amino-N-(4-methylpiperazin-1-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCN1CCN(NC(=O)c2nonc2N)CC1
InChIInChI=1S/C8H14N6O2/c1-13-2-4-14(5-3-13)10-8(15)6-7(9)12-16-11-6/h2-5H2,1H3,(H2,9,12)(H,10,15)
InChIKeyLLRNPYSJPDDWRR-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.46
Rot. Bonds2

About 4-amino-N-(4-methylpiperazin-1-yl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(4-methylpiperazin-1-yl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 83015855) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-amino-N-(4-methylpiperazin-1-yl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methylpiperazin-1-yl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID83015855
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name4-amino-N-(4-methylpiperazin-1-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCN1CCN(NC(=O)c2nonc2N)CC1
InChIInChI=1S/C8H14N6O2/c1-13-2-4-14(5-3-13)10-8(15)6-7(9)12-16-11-6/h2-5H2,1H3,(H2,9,12)(H,10,15)
InChIKeyLLRNPYSJPDDWRR-UHFFFAOYSA-N
XLogP-1.46
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-(4-methylpiperazin-1-yl)-1,2,5-oxadiazole-3-carboxamide 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

2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 114220417
4-amino-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 83024475
(4-amino-1,2,5-oxadiazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63633859
[4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone
CID 11452890
2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide
CID 106687134
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 62687769
4-amino-N-(dicyclopropylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687641
4-amino-N-(1-ethylpiperidin-3-yl)-1,2,5-oxadiazole-3-carboxamide
CID 62688370
4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688692
4-[(4-methylpiperazin-1-yl)carbamoyl]benzoic acid
CID 83023034
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide
CID 62688490
3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83013438

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methylpiperazin-1-yl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-methylpiperazin-1-yl)-1,2,5-oxadiazole-3-carboxamide (CID 83015855) is 4-amino-N-(4-methylpiperazin-1-yl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methylpiperazin-1-yl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-methylpiperazin-1-yl)-1,2,5-oxadiazole-3-carboxamide is CN1CCN(NC(=O)c2nonc2N)CC1.
What is the InChIKey of 4-amino-N-(4-methylpiperazin-1-yl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is LLRNPYSJPDDWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c1-13-2-4-14(5-3-13)10-8(15)6-7(9)12-16-11-6/h2-5H2,1H3,(H2,9,12)(H,10,15).
What are the key properties of 4-amino-N-(4-methylpiperazin-1-yl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(4-methylpiperazin-1-yl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 226.24 g/mol, XLogP of -1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methylpiperazin-1-yl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 83015855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).