8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine

C12H17N3O — CID 66211752

IUPAC8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESNC1C2CCCOC2C1Nc1ccncc1
InChIInChI=1S/C12H17N3O/c13-10-9-2-1-7-16-12(9)11(10)15-8-3-5-14-6-4-8/h3-6,9-12H,1-2,7,13H2,(H,14,15)
InChIKeyUZAKTJYZAWONQM-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.00
Rot. Bonds2

About 8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine

8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine (PubChem CID 66211752) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine.

Molecular Properties

Compound Name8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
PubChem CID66211752
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESNC1C2CCCOC2C1Nc1ccncc1
InChIInChI=1S/C12H17N3O/c13-10-9-2-1-7-16-12(9)11(10)15-8-3-5-14-6-4-8/h3-6,9-12H,1-2,7,13H2,(H,14,15)
InChIKeyUZAKTJYZAWONQM-UHFFFAOYSA-N
XLogP1.00
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211559
3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]pyridazine-4-carbonitrile
CID 80515067
8-N-imidazo[1,2-a]pyridin-5-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 102626151
8-N-thieno[3,2-c]pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211171
8-N-[6-(trifluoromethyl)-2-pyridinyl]-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211939
8-N-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211179
7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 66195566
8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211754
8-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66212532
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazine-2-carboxamide
CID 66211143
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide
CID 66212899
4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-3-chlorobenzonitrile
CID 66213112

Frequently Asked Questions

What is the IUPAC name of 8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The IUPAC name of 8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine (CID 66211752) is 8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine.
What is the SMILES notation for 8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The canonical SMILES for 8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine is NC1C2CCCOC2C1Nc1ccncc1.
What is the InChIKey of 8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The InChIKey is UZAKTJYZAWONQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-10-9-2-1-7-16-12(9)11(10)15-8-3-5-14-6-4-8/h3-6,9-12H,1-2,7,13H2,(H,14,15).
What are the key properties of 8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine has a molecular weight of 219.29 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine is sourced from PubChem (CID 66211752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).