1-(1-methyl-6-oxopyridazin-4-yl)-3-[(2-propan-2-yloxan-3-yl)methyl]urea

C15H24N4O3 — CID 154770154

IUPAC1-(1-methyl-6-oxopyridazin-4-yl)-3-[(2-propan-2-yloxan-3-yl)methyl]urea
SMILESCC(C)C1OCCCC1CNC(=O)Nc1cnn(C)c(=O)c1
InChIInChI=1S/C15H24N4O3/c1-10(2)14-11(5-4-6-22-14)8-16-15(21)18-12-7-13(20)19(3)17-9-12/h7,9-11,14H,4-6,8H2,1-3H3,(H2,16,18,21)
InChIKeyJOTHTLDYPFMGGK-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.35
Rot. Bonds4

About 1-(1-methyl-6-oxopyridazin-4-yl)-3-[(2-propan-2-yloxan-3-yl)methyl]urea

1-(1-methyl-6-oxopyridazin-4-yl)-3-[(2-propan-2-yloxan-3-yl)methyl]urea (PubChem CID 154770154) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-4-yl)-3-[(2-propan-2-yloxan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-4-yl)-3-[(2-propan-2-yloxan-3-yl)methyl]urea
PubChem CID154770154
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name1-(1-methyl-6-oxopyridazin-4-yl)-3-[(2-propan-2-yloxan-3-yl)methyl]urea
SMILESCC(C)C1OCCCC1CNC(=O)Nc1cnn(C)c(=O)c1
InChIInChI=1S/C15H24N4O3/c1-10(2)14-11(5-4-6-22-14)8-16-15(21)18-12-7-13(20)19(3)17-9-12/h7,9-11,14H,4-6,8H2,1-3H3,(H2,16,18,21)
InChIKeyJOTHTLDYPFMGGK-UHFFFAOYSA-N
XLogP1.35
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-methyl-6-oxopyridazin-4-yl)-3-[(2-propan-2-yloxan-3-yl)methyl]urea with MolForge

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Related Compounds

1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129002052
2-(1-methylpyrazol-4-yl)-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]acetamide
CID 129003467
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473
1-[2-(methylsulfanylmethyl)phenyl]-3-[[(2S,3S)-2-propan-2-yloxan-3-yl]methyl]urea
CID 129398671
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97009416
1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128999330
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxan-3-yl)methyl]acetamide
CID 119819575
1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-yl)methyl]urea
CID 136513367
1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
CID 71976469
(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride
CID 119344063
N-[[(2S,3S)-2-propan-2-yloxan-3-yl]methyl]-1,4-thiazepane-4-carboxamide
CID 124890213
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(1-methylpyrazol-4-yl)urea
CID 128999486

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-3-[(2-propan-2-yloxan-3-yl)methyl]urea?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-3-[(2-propan-2-yloxan-3-yl)methyl]urea (CID 154770154) is 1-(1-methyl-6-oxopyridazin-4-yl)-3-[(2-propan-2-yloxan-3-yl)methyl]urea.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-4-yl)-3-[(2-propan-2-yloxan-3-yl)methyl]urea?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-4-yl)-3-[(2-propan-2-yloxan-3-yl)methyl]urea is CC(C)C1OCCCC1CNC(=O)Nc1cnn(C)c(=O)c1.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-4-yl)-3-[(2-propan-2-yloxan-3-yl)methyl]urea?
The InChIKey is JOTHTLDYPFMGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10(2)14-11(5-4-6-22-14)8-16-15(21)18-12-7-13(20)19(3)17-9-12/h7,9-11,14H,4-6,8H2,1-3H3,(H2,16,18,21).
What are the key properties of 1-(1-methyl-6-oxopyridazin-4-yl)-3-[(2-propan-2-yloxan-3-yl)methyl]urea?
1-(1-methyl-6-oxopyridazin-4-yl)-3-[(2-propan-2-yloxan-3-yl)methyl]urea has a molecular weight of 308.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazin-4-yl)-3-[(2-propan-2-yloxan-3-yl)methyl]urea is sourced from PubChem (CID 154770154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).