5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one

C14H22ClN3O2 — CID 114438636

IUPAC5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one
SMILESCCC(COC)Nc1c(Cl)cnn(CC2CCC2)c1=O
InChIInChI=1S/C14H22ClN3O2/c1-3-11(9-20-2)17-13-12(15)7-16-18(14(13)19)8-10-5-4-6-10/h7,10-11,17H,3-6,8-9H2,1-2H3
InChIKeyAJXXCAMRTRRCMQ-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.53
Rot. Bonds7

About 5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one

5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one (PubChem CID 114438636) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one
PubChem CID114438636
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one
SMILESCCC(COC)Nc1c(Cl)cnn(CC2CCC2)c1=O
InChIInChI=1S/C14H22ClN3O2/c1-3-11(9-20-2)17-13-12(15)7-16-18(14(13)19)8-10-5-4-6-10/h7,10-11,17H,3-6,8-9H2,1-2H3
InChIKeyAJXXCAMRTRRCMQ-UHFFFAOYSA-N
XLogP2.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one (CID 114438636) is 5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one is CCC(COC)Nc1c(Cl)cnn(CC2CCC2)c1=O.
What is the InChIKey of 5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one?
The InChIKey is AJXXCAMRTRRCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-3-11(9-20-2)17-13-12(15)7-16-18(14(13)19)8-10-5-4-6-10/h7,10-11,17H,3-6,8-9H2,1-2H3.
What are the key properties of 5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one?
5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one has a molecular weight of 299.80 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 114438636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).