5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide

C10H14N4O2 — CID 116786747

IUPAC5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide
SMILESNCC1CCC(C(=O)Nc2cccnn2)O1
InChIInChI=1S/C10H14N4O2/c11-6-7-3-4-8(16-7)10(15)13-9-2-1-5-12-14-9/h1-2,5,7-8H,3-4,6,11H2,(H,13,14,15)
InChIKeyBBYRHXKSELCRBY-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.08
Rot. Bonds3

About 5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide

5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide (PubChem CID 116786747) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide
PubChem CID116786747
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide
SMILESNCC1CCC(C(=O)Nc2cccnn2)O1
InChIInChI=1S/C10H14N4O2/c11-6-7-3-4-8(16-7)10(15)13-9-2-1-5-12-14-9/h1-2,5,7-8H,3-4,6,11H2,(H,13,14,15)
InChIKeyBBYRHXKSELCRBY-UHFFFAOYSA-N
XLogP-0.08
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[4-(carbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785402
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785287
(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
CID 120801756
(2S,5R)-5-(aminomethyl)-N-(2-methylpyrazol-3-yl)oxolane-2-carboxamide
CID 120786012
(2S,5R)-5-(aminomethyl)-N-(4-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801765
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 83167410
(2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride
CID 120797789
(2S,5R)-5-(aminomethyl)-N-(3-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801761
(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120799515
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120799693

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide (CID 116786747) is 5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide is NCC1CCC(C(=O)Nc2cccnn2)O1.
What is the InChIKey of 5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide?
The InChIKey is BBYRHXKSELCRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-6-7-3-4-8(16-7)10(15)13-9-2-1-5-12-14-9/h1-2,5,7-8H,3-4,6,11H2,(H,13,14,15).
What are the key properties of 5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide?
5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide has a molecular weight of 222.25 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide is sourced from PubChem (CID 116786747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).