5-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C10H15N7O3 — CID 133487602

IUPAC5-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCc1nn(C)c(NCc2nc(N(C)C)no2)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N7O3/c1-6-8(17(18)19)9(16(4)13-6)11-5-7-12-10(14-20-7)15(2)3/h11H,5H2,1-4H3
InChIKeyNUBPLVMAICMBJM-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.70
Rot. Bonds5

About 5-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 133487602) has the molecular formula C10H15N7O3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 5-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID133487602
Molecular FormulaC10H15N7O3
Molecular Weight281.28 g/mol
Exact Mass281.12
IUPAC Name5-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCc1nn(C)c(NCc2nc(N(C)C)no2)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N7O3/c1-6-8(17(18)19)9(16(4)13-6)11-5-7-12-10(14-20-7)15(2)3/h11H,5H2,1-4H3
InChIKeyNUBPLVMAICMBJM-UHFFFAOYSA-N
XLogP0.70
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine with MolForge

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Related Compounds

1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913295
5-[(2,6-difluoro-4-nitroanilino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487627
1,3-dimethyl-N-[(4-methylphenyl)methyl]-4-nitropyrazol-5-amine
CID 43533042
1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine
CID 103724978
[4-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]phenyl]methanol
CID 107232327
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N,N-dimethylethanesulfonamide
CID 106339133
1,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-nitropyrazol-5-amine
CID 63280496
N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride
CID 18769501
1,3-dimethyl-4-nitro-N-(1,3-thiazol-2-ylmethyl)pyrazol-5-amine
CID 61283486
3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propan-1-ol
CID 43554268
1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine
CID 43554263
1,3-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-nitropyrazol-5-amine
CID 60965735

Frequently Asked Questions

What is the IUPAC name of 5-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 133487602) is 5-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is Cc1nn(C)c(NCc2nc(N(C)C)no2)c1[N+](=O)[O-].
What is the InChIKey of 5-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is NUBPLVMAICMBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O3/c1-6-8(17(18)19)9(16(4)13-6)11-5-7-12-10(14-20-7)15(2)3/h11H,5H2,1-4H3.
What are the key properties of 5-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 281.28 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133487602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).