5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one

C14H20ClN3O2 — CID 114443407

IUPAC5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one
SMILESCC(Nc1c(Cl)cnn(CC2CC2)c1=O)C1CCOC1
InChIInChI=1S/C14H20ClN3O2/c1-9(11-4-5-20-8-11)17-13-12(15)6-16-18(14(13)19)7-10-2-3-10/h6,9-11,17H,2-5,7-8H2,1H3
InChIKeyKMONOLXLANHHEC-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.14
Rot. Bonds5

About 5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one

5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one (PubChem CID 114443407) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one
PubChem CID114443407
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one
SMILESCC(Nc1c(Cl)cnn(CC2CC2)c1=O)C1CCOC1
InChIInChI=1S/C14H20ClN3O2/c1-9(11-4-5-20-8-11)17-13-12(15)6-16-18(14(13)19)7-10-2-3-10/h6,9-11,17H,2-5,7-8H2,1H3
InChIKeyKMONOLXLANHHEC-UHFFFAOYSA-N
XLogP2.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(1-cyclopentylethylamino)-2-(cyclopropylmethyl)pyridazin-3-one
CID 114438447
5-chloro-4-(1-cyclobutylethylamino)-2-(cyclobutylmethyl)pyridazin-3-one
CID 114443043
5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one
CID 114435680
5-chloro-2-(cyclobutylmethyl)-4-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114433355
5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
CID 114438346
2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide
CID 114435337
5-chloro-2-(cyclopropylmethyl)-4-(oxan-4-ylmethylamino)pyridazin-3-one
CID 114437978
5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one
CID 114436822
5-chloro-2-(cyclopropylmethyl)-4-(1-phenylethylamino)pyridazin-3-one
CID 114431879
5-chloro-2-(cyclopropylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one
CID 114438940
5-chloro-2-(cyclopropylmethyl)-4-(2-propan-2-yloxyethylamino)pyridazin-3-one
CID 114441785
5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one
CID 114435325

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one (CID 114443407) is 5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one is CC(Nc1c(Cl)cnn(CC2CC2)c1=O)C1CCOC1.
What is the InChIKey of 5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one?
The InChIKey is KMONOLXLANHHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-9(11-4-5-20-8-11)17-13-12(15)6-16-18(14(13)19)7-10-2-3-10/h6,9-11,17H,2-5,7-8H2,1H3.
What are the key properties of 5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one?
5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one has a molecular weight of 297.79 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 114443407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).