5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine;2-methylpropane

C15H29ClN4O — CID 145119187

IUPAC5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine;2-methylpropane
SMILESCC(C)C.CN1CCCCC1.Cn1ncc(N)c(Cl)c1=O
InChIInChI=1S/C6H13N.C5H6ClN3O.C4H10/c1-7-5-3-2-4-6-7;1-9-5(10)4(6)3(7)2-8-9;1-4(2)3/h2-6H2,1H3;2H,7H2,1H3;4H,1-3H3
InChIKeyPXIJPVAHLCSKMB-UHFFFAOYSA-N
MW316.88 g/mol
LogP2.78
Rot. Bonds

About 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine;2-methylpropane

5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine;2-methylpropane (PubChem CID 145119187) has the molecular formula C15H29ClN4O and a molecular weight of 316.88 g/mol. Its IUPAC name is 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine;2-methylpropane.

Molecular Properties

Compound Name5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine;2-methylpropane
PubChem CID145119187
Molecular FormulaC15H29ClN4O
Molecular Weight316.88 g/mol
Exact Mass316.20
IUPAC Name5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine;2-methylpropane
SMILESCC(C)C.CN1CCCCC1.Cn1ncc(N)c(Cl)c1=O
InChIInChI=1S/C6H13N.C5H6ClN3O.C4H10/c1-7-5-3-2-4-6-7;1-9-5(10)4(6)3(7)2-8-9;1-4(2)3/h2-6H2,1H3;2H,7H2,1H3;4H,1-3H3
InChIKeyPXIJPVAHLCSKMB-UHFFFAOYSA-N
XLogP2.78
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.88
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine;2-methylpropane?
The IUPAC name of 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine;2-methylpropane (CID 145119187) is 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine;2-methylpropane.
What is the SMILES notation for 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine;2-methylpropane?
The canonical SMILES for 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine;2-methylpropane is CC(C)C.CN1CCCCC1.Cn1ncc(N)c(Cl)c1=O.
What is the InChIKey of 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine;2-methylpropane?
The InChIKey is PXIJPVAHLCSKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H6ClN3O.C4H10/c1-7-5-3-2-4-6-7;1-9-5(10)4(6)3(7)2-8-9;1-4(2)3/h2-6H2,1H3;2H,7H2,1H3;4H,1-3H3.
What are the key properties of 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine;2-methylpropane?
5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine;2-methylpropane has a molecular weight of 316.88 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine;2-methylpropane is sourced from PubChem (CID 145119187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).