2-methyl-5-[3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one

C15H26N4O — CID 70720970

IUPAC2-methyl-5-[3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one
SMILESCCC(CC)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H26N4O/c1-4-13(5-2)16-9-12-6-7-19(11-12)14-8-15(20)18(3)17-10-14/h8,10,12-13,16H,4-7,9,11H2,1-3H3
InChIKeyDYLPHGZOYOZHSH-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.38
Rot. Bonds6

About 2-methyl-5-[3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one

2-methyl-5-[3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one (PubChem CID 70720970) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methyl-5-[3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one
PubChem CID70720970
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-methyl-5-[3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one
SMILESCCC(CC)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H26N4O/c1-4-13(5-2)16-9-12-6-7-19(11-12)14-8-15(20)18(3)17-10-14/h8,10,12-13,16H,4-7,9,11H2,1-3H3
InChIKeyDYLPHGZOYOZHSH-UHFFFAOYSA-N
XLogP1.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
1-(6-Oxo-1-propyl-1,6-dihydropyridazin-4-YL)-N-[3-(2-oxopyrrolidin-1-YL)propyl]piperidine-4-carboxamide
CID 53202145
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-3-(2-oxo-1-pyrrolidinyl)propanamide
CID 70721532
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-N~2~-4-piperidinylglycinamide
CID 70750771
N-ethyl-N-methyl-N'-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}sulfamide
CID 70768852
1-(6-Oxo-1,6-dihydropyridazin-4-YL)-N-(pentan-3-YL)pyrrolidine-3-carboxamide
CID 91909551
N-[3-[bis(2-methylpropyl)amino]propyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 91920262
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-3-methylbutanamide
CID 91924046
N-cyclopentyl-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 110196818
N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 110196819
3-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 110876543
2-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]propanamide
CID 110876544

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one (CID 70720970) is 2-methyl-5-[3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one is CCC(CC)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 2-methyl-5-[3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one?
The InChIKey is DYLPHGZOYOZHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-13(5-2)16-9-12-6-7-19(11-12)14-8-15(20)18(3)17-10-14/h8,10,12-13,16H,4-7,9,11H2,1-3H3.
What are the key properties of 2-methyl-5-[3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one?
2-methyl-5-[3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one has a molecular weight of 278.40 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 70720970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).