5-[amino(methyl)amino]-4-chloro-2-(oxan-3-yl)pyridazin-3-one

C10H15ClN4O2 — CID 177361815

IUPAC5-[amino(methyl)amino]-4-chloro-2-(oxan-3-yl)pyridazin-3-one
SMILESCN(N)c1cnn(C2CCCOC2)c(=O)c1Cl
InChIInChI=1S/C10H15ClN4O2/c1-14(12)8-5-13-15(10(16)9(8)11)7-3-2-4-17-6-7/h5,7H,2-4,6,12H2,1H3
InChIKeyJRJFZZVERPSWPV-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.56
Rot. Bonds2

About 5-[amino(methyl)amino]-4-chloro-2-(oxan-3-yl)pyridazin-3-one

5-[amino(methyl)amino]-4-chloro-2-(oxan-3-yl)pyridazin-3-one (PubChem CID 177361815) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 5-[amino(methyl)amino]-4-chloro-2-(oxan-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-[amino(methyl)amino]-4-chloro-2-(oxan-3-yl)pyridazin-3-one
PubChem CID177361815
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name5-[amino(methyl)amino]-4-chloro-2-(oxan-3-yl)pyridazin-3-one
SMILESCN(N)c1cnn(C2CCCOC2)c(=O)c1Cl
InChIInChI=1S/C10H15ClN4O2/c1-14(12)8-5-13-15(10(16)9(8)11)7-3-2-4-17-6-7/h5,7H,2-4,6,12H2,1H3
InChIKeyJRJFZZVERPSWPV-UHFFFAOYSA-N
XLogP0.56
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-[[(3S)-3-fluorooxan-3-yl]-methylamino]-1H-pyridazin-6-one
CID 168963454
4-Chloro-5-(oxan-3-ylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114437913
4,5-dichloro-2-(tetrahydro-2H-pyran-3-yl)pyridazin-3(2H)-one
CID 71303224
4-Chloro-2-methyl-5-(oxan-3-ylamino)pyridazin-3-one
CID 115616281
4-Chloro-2-methyl-5-(oxan-3-ylamino)pyridazin-3-one;methane
CID 157808010
4-chloro-5-methoxy-2-(tetrahydro-2H-pyran-3-yl)pyridazin-3(2H)-one
CID 71303345
5-chloro-4-(oxan-3-ylamino)-1H-pyridazin-6-one
CID 78946421
4,5-dichloro-2-[(3R)-oxan-3-yl]pyridazin-3-one
CID 86335235
4,5-dichloro-2-[(3S)-oxan-3-yl]pyridazin-3-one
CID 86335236
4-chloro-5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one
CID 86335248
4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one
CID 86335249
4-Chloro-2-(2-methoxy-ethyl)-5-(N-methyl-hydrazino)-2H-pyridazin-3-one
CID 102534448

Frequently Asked Questions

What is the IUPAC name of 5-[amino(methyl)amino]-4-chloro-2-(oxan-3-yl)pyridazin-3-one?
The IUPAC name of 5-[amino(methyl)amino]-4-chloro-2-(oxan-3-yl)pyridazin-3-one (CID 177361815) is 5-[amino(methyl)amino]-4-chloro-2-(oxan-3-yl)pyridazin-3-one.
What is the SMILES notation for 5-[amino(methyl)amino]-4-chloro-2-(oxan-3-yl)pyridazin-3-one?
The canonical SMILES for 5-[amino(methyl)amino]-4-chloro-2-(oxan-3-yl)pyridazin-3-one is CN(N)c1cnn(C2CCCOC2)c(=O)c1Cl.
What is the InChIKey of 5-[amino(methyl)amino]-4-chloro-2-(oxan-3-yl)pyridazin-3-one?
The InChIKey is JRJFZZVERPSWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-14(12)8-5-13-15(10(16)9(8)11)7-3-2-4-17-6-7/h5,7H,2-4,6,12H2,1H3.
What are the key properties of 5-[amino(methyl)amino]-4-chloro-2-(oxan-3-yl)pyridazin-3-one?
5-[amino(methyl)amino]-4-chloro-2-(oxan-3-yl)pyridazin-3-one has a molecular weight of 258.71 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(methyl)amino]-4-chloro-2-(oxan-3-yl)pyridazin-3-one is sourced from PubChem (CID 177361815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).