4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine

C8H7N5O3 — CID 106402960

IUPAC4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccnc(NCc2ncon2)c1
InChIInChI=1S/C8H7N5O3/c14-13(15)6-1-2-9-7(3-6)10-4-8-11-5-16-12-8/h1-3,5H,4H2,(H,9,10)
InChIKeyPRQQMBLHMWWQAS-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.98
Rot. Bonds4

About 4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine

4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine (PubChem CID 106402960) has the molecular formula C8H7N5O3 and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
PubChem CID106402960
Molecular FormulaC8H7N5O3
Molecular Weight221.18 g/mol
Exact Mass221.05
IUPAC Name4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccnc(NCc2ncon2)c1
InChIInChI=1S/C8H7N5O3/c14-13(15)6-1-2-9-7(3-6)10-4-8-11-5-16-12-8/h1-3,5H,4H2,(H,9,10)
InChIKeyPRQQMBLHMWWQAS-UHFFFAOYSA-N
XLogP0.98
TPSA106.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 106402979
1-(2,4-dinitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106398975
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-nitropyridin-2-amine
CID 114180511
N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine
CID 62490095
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-nitropyridin-2-amine
CID 114186343
1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106399397
4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine
CID 114185489
1-[(4-nitro-2-pyridinyl)amino]butan-2-one
CID 159524521
2-methyl-4-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]aniline
CID 106404427
5-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine
CID 113253354
6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 106411776
3-methoxy-4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)aniline
CID 106403400

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine (CID 106402960) is 4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine is O=[N+]([O-])c1ccnc(NCc2ncon2)c1.
What is the InChIKey of 4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine?
The InChIKey is PRQQMBLHMWWQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O3/c14-13(15)6-1-2-9-7(3-6)10-4-8-11-5-16-12-8/h1-3,5H,4H2,(H,9,10).
What are the key properties of 4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine?
4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine has a molecular weight of 221.18 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106402960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).