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

C9H11N5O — CID 106393561

IUPAC2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine
SMILESNc1cccnc1NCCc1ncno1
InChIInChI=1S/C9H11N5O/c10-7-2-1-4-11-9(7)12-5-3-8-13-6-14-15-8/h1-2,4,6H,3,5,10H2,(H,11,12)
InChIKeyILIDFRROQNKNEI-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.70
Rot. Bonds4

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

2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine (PubChem CID 106393561) 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-2,3-diamine.

Molecular Properties

Compound Name2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine
PubChem CID106393561
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine
SMILESNc1cccnc1NCCc1ncno1
InChIInChI=1S/C9H11N5O/c10-7-2-1-4-11-9(7)12-5-3-8-13-6-14-15-8/h1-2,4,6H,3,5,10H2,(H,11,12)
InChIKeyILIDFRROQNKNEI-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

2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106400809
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine
CID 106393652
3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 113253242
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 114184452
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 106411547
2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106413986
4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106412113
4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106409642
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine
CID 106393639
3-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridazine-3,6-diamine
CID 106411541
3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine
CID 103744317
2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106408720

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine (CID 106393561) is 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine is Nc1cccnc1NCCc1ncno1.
What is the InChIKey of 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine?
The InChIKey is ILIDFRROQNKNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c10-7-2-1-4-11-9(7)12-5-3-8-13-6-14-15-8/h1-2,4,6H,3,5,10H2,(H,11,12).
What are the key properties of 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine?
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-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-2,3-diamine is sourced from PubChem (CID 106393561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).