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

C12H17N5O2 — CID 106393782

IUPAC2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NCCc2ncno2)ccc1N
InChIInChI=1S/C12H17N5O2/c1-2-7-18-12-9(13)3-4-10(17-12)14-6-5-11-15-8-16-19-11/h3-4,8H,2,5-7,13H2,1H3,(H,14,17)
InChIKeyHRSLPEKWQNMPQX-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.49
Rot. Bonds7

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

2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propoxypyridine-2,5-diamine (PubChem CID 106393782) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propoxypyridine-2,5-diamine
PubChem CID106393782
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NCCc2ncno2)ccc1N
InChIInChI=1S/C12H17N5O2/c1-2-7-18-12-9(13)3-4-10(17-12)14-6-5-11-15-8-16-19-11/h3-4,8H,2,5-7,13H2,1H3,(H,14,17)
InChIKeyHRSLPEKWQNMPQX-UHFFFAOYSA-N
XLogP1.49
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-methoxy-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine
CID 114183079
6-propoxy-2-N-(2-thiophen-3-ylethyl)pyridine-2,5-diamine
CID 61474843
6-propoxy-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
CID 60895722
2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261174
2-N-[3-(diethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261118
2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine
CID 115324707
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
2-[2-[(5-amino-6-propoxy-2-pyridinyl)amino]ethoxy]acetamide
CID 106234525
2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine
CID 106394409
2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine
CID 81170070
2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine
CID 61239615

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propoxypyridine-2,5-diamine (CID 106393782) is 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propoxypyridine-2,5-diamine is CCCOc1nc(NCCc2ncno2)ccc1N.
What is the InChIKey of 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propoxypyridine-2,5-diamine?
The InChIKey is HRSLPEKWQNMPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-2-7-18-12-9(13)3-4-10(17-12)14-6-5-11-15-8-16-19-11/h3-4,8H,2,5-7,13H2,1H3,(H,14,17).
What are the key properties of 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propoxypyridine-2,5-diamine?
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propoxypyridine-2,5-diamine has a molecular weight of 263.30 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 106393782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).