5-chloro-2-(cyclobutylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one

C14H18ClN5O — CID 114440953

IUPAC5-chloro-2-(cyclobutylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one
SMILESCn1ccc(CNc2c(Cl)cnn(CC3CCC3)c2=O)n1
InChIInChI=1S/C14H18ClN5O/c1-19-6-5-11(18-19)7-16-13-12(15)8-17-20(14(13)21)9-10-3-2-4-10/h5-6,8,10,16H,2-4,7,9H2,1H3
InChIKeyGFUJWDVHDMABMJ-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.04
Rot. Bonds5

About 5-chloro-2-(cyclobutylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one

5-chloro-2-(cyclobutylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one (PubChem CID 114440953) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 5-chloro-2-(cyclobutylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclobutylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one
PubChem CID114440953
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name5-chloro-2-(cyclobutylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one
SMILESCn1ccc(CNc2c(Cl)cnn(CC3CCC3)c2=O)n1
InChIInChI=1S/C14H18ClN5O/c1-19-6-5-11(18-19)7-16-13-12(15)8-17-20(14(13)21)9-10-3-2-4-10/h5-6,8,10,16H,2-4,7,9H2,1H3
InChIKeyGFUJWDVHDMABMJ-UHFFFAOYSA-N
XLogP2.04
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one (CID 114440953) is 5-chloro-2-(cyclobutylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclobutylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclobutylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one is Cn1ccc(CNc2c(Cl)cnn(CC3CCC3)c2=O)n1.
What is the InChIKey of 5-chloro-2-(cyclobutylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one?
The InChIKey is GFUJWDVHDMABMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-19-6-5-11(18-19)7-16-13-12(15)8-17-20(14(13)21)9-10-3-2-4-10/h5-6,8,10,16H,2-4,7,9H2,1H3.
What are the key properties of 5-chloro-2-(cyclobutylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one?
5-chloro-2-(cyclobutylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one has a molecular weight of 307.79 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclobutylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114440953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).