2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine

C10H12N6O3 — CID 106424187

IUPAC2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine
SMILESCc1nc(CCNc2nc(N)ccc2[N+](=O)[O-])no1
InChIInChI=1S/C10H12N6O3/c1-6-13-9(15-19-6)4-5-12-10-7(16(17)18)2-3-8(11)14-10/h2-3H,4-5H2,1H3,(H3,11,12,14)
InChIKeyLNOQVNWCUAHKGP-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.92
Rot. Bonds5

About 2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine

2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine (PubChem CID 106424187) has the molecular formula C10H12N6O3 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine
PubChem CID106424187
Molecular FormulaC10H12N6O3
Molecular Weight264.25 g/mol
Exact Mass264.10
IUPAC Name2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine
SMILESCc1nc(CCNc2nc(N)ccc2[N+](=O)[O-])no1
InChIInChI=1S/C10H12N6O3/c1-6-13-9(15-19-6)4-5-12-10-7(16(17)18)2-3-8(11)14-10/h2-3H,4-5H2,1H3,(H3,11,12,14)
InChIKeyLNOQVNWCUAHKGP-UHFFFAOYSA-N
XLogP0.92
TPSA133.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(3,5-difluorophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 80803855
3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80786425
3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790211
3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline
CID 106424721
2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106343419
2-N-(2-butoxyethyl)-3-nitropyridine-2,6-diamine
CID 80819270
3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82946841
2-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridine-2,6-diamine
CID 102908827
2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80808195
2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-nitropyridine-2,6-diamine
CID 114181114
3-nitro-2-N-(3-phenylbutyl)pyridine-2,6-diamine
CID 80807970
1-N-methyl-3-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitrobenzene-1,3-diamine
CID 106424176

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine (CID 106424187) is 2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine is Cc1nc(CCNc2nc(N)ccc2[N+](=O)[O-])no1.
What is the InChIKey of 2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine?
The InChIKey is LNOQVNWCUAHKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-6-13-9(15-19-6)4-5-12-10-7(16(17)18)2-3-8(11)14-10/h2-3H,4-5H2,1H3,(H3,11,12,14).
What are the key properties of 2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine?
2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine has a molecular weight of 264.25 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 106424187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).