2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine

C9H11N5O — CID 106393639

IUPAC2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine
SMILESNc1ccc(NCCc2ncno2)nc1
InChIInChI=1S/C9H11N5O/c10-7-1-2-8(12-5-7)11-4-3-9-13-6-14-15-9/h1-2,5-6H,3-4,10H2,(H,11,12)
InChIKeyBLQHSPCSQWMDPC-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.70
Rot. Bonds4

About 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine

2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine (PubChem CID 106393639) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine
PubChem CID106393639
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine
SMILESNc1ccc(NCCc2ncno2)nc1
InChIInChI=1S/C9H11N5O/c10-7-1-2-8(12-5-7)11-4-3-9-13-6-14-15-9/h1-2,5-6H,3-4,10H2,(H,11,12)
InChIKeyBLQHSPCSQWMDPC-UHFFFAOYSA-N
XLogP0.70
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 106403802
3-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridazine-3,6-diamine
CID 106411541
6-methoxy-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine
CID 114183079
N,N-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxamide
CID 103744306
6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide
CID 113253256
4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 114183117
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine
CID 103744283
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propoxypyridine-2,5-diamine
CID 106393782
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 106411547
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103880354
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide
CID 106408591
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine
CID 106393561

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine (CID 106393639) is 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine is Nc1ccc(NCCc2ncno2)nc1.
What is the InChIKey of 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is BLQHSPCSQWMDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c10-7-1-2-8(12-5-7)11-4-3-9-13-6-14-15-9/h1-2,5-6H,3-4,10H2,(H,11,12).
What are the key properties of 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine?
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine has a molecular weight of 205.22 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 106393639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).