1-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclobutane-1-carboxamide

C10H14N4O2 — CID 116786541

IUPAC1-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(=O)[nH]n2)CCC1
InChIInChI=1S/C10H14N4O2/c11-6-10(4-1-5-10)9(16)12-7-2-3-8(15)14-13-7/h2-3H,1,4-6,11H2,(H,14,15)(H,12,13,16)
InChIKeyMMEZDPWTGUJDOU-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.16
Rot. Bonds3

About 1-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclobutane-1-carboxamide (PubChem CID 116786541) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclobutane-1-carboxamide
PubChem CID116786541
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(=O)[nH]n2)CCC1
InChIInChI=1S/C10H14N4O2/c11-6-10(4-1-5-10)9(16)12-7-2-3-8(15)14-13-7/h2-3H,1,4-6,11H2,(H,14,15)(H,12,13,16)
InChIKeyMMEZDPWTGUJDOU-UHFFFAOYSA-N
XLogP-0.16
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclobutane-1-carboxamide (CID 116786541) is 1-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclobutane-1-carboxamide is NCC1(C(=O)Nc2ccc(=O)[nH]n2)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclobutane-1-carboxamide?
The InChIKey is MMEZDPWTGUJDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-6-10(4-1-5-10)9(16)12-7-2-3-8(15)14-13-7/h2-3H,1,4-6,11H2,(H,14,15)(H,12,13,16).
What are the key properties of 1-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclobutane-1-carboxamide has a molecular weight of 222.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 116786541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).