4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one

C14H19ClN4O — CID 114443921

IUPAC4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one
SMILESO=c1c(NC2C3CNCC32)c(Cl)cnn1CC1CCC1
InChIInChI=1S/C14H19ClN4O/c15-11-6-17-19(7-8-2-1-3-8)14(20)13(11)18-12-9-4-16-5-10(9)12/h6,8-10,12,16,18H,1-5,7H2
InChIKeyIUBUIRHYWBQQGD-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.33
Rot. Bonds4

About 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one

4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one (PubChem CID 114443921) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one
PubChem CID114443921
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one
SMILESO=c1c(NC2C3CNCC32)c(Cl)cnn1CC1CCC1
InChIInChI=1S/C14H19ClN4O/c15-11-6-17-19(7-8-2-1-3-8)14(20)13(11)18-12-9-4-16-5-10(9)12/h6,8-10,12,16,18H,1-5,7H2
InChIKeyIUBUIRHYWBQQGD-UHFFFAOYSA-N
XLogP1.33
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one?
The IUPAC name of 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one (CID 114443921) is 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one.
What is the SMILES notation for 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one?
The canonical SMILES for 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one is O=c1c(NC2C3CNCC32)c(Cl)cnn1CC1CCC1.
What is the InChIKey of 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one?
The InChIKey is IUBUIRHYWBQQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c15-11-6-17-19(7-8-2-1-3-8)14(20)13(11)18-12-9-4-16-5-10(9)12/h6,8-10,12,16,18H,1-5,7H2.
What are the key properties of 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one?
4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one has a molecular weight of 294.79 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one is sourced from PubChem (CID 114443921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).