3-(6-cyclopropylpyridazin-3-yl)-1-methyl-1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)urea

C17H27N5O — CID 154764925

IUPAC3-(6-cyclopropylpyridazin-3-yl)-1-methyl-1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)urea
SMILESCN(C(=O)Nc1ccc(C2CC2)nn1)C(C)(C)CN1CCCC1
InChIInChI=1S/C17H27N5O/c1-17(2,12-22-10-4-5-11-22)21(3)16(23)18-15-9-8-14(19-20-15)13-6-7-13/h8-9,13H,4-7,10-12H2,1-3H3,(H,18,20,23)
InChIKeyDPJDXHQQCRYJME-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.69
Rot. Bonds5

About 3-(6-cyclopropylpyridazin-3-yl)-1-methyl-1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)urea

3-(6-cyclopropylpyridazin-3-yl)-1-methyl-1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)urea (PubChem CID 154764925) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-(6-cyclopropylpyridazin-3-yl)-1-methyl-1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name3-(6-cyclopropylpyridazin-3-yl)-1-methyl-1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)urea
PubChem CID154764925
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name3-(6-cyclopropylpyridazin-3-yl)-1-methyl-1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)urea
SMILESCN(C(=O)Nc1ccc(C2CC2)nn1)C(C)(C)CN1CCCC1
InChIInChI=1S/C17H27N5O/c1-17(2,12-22-10-4-5-11-22)21(3)16(23)18-15-9-8-14(19-20-15)13-6-7-13/h8-9,13H,4-7,10-12H2,1-3H3,(H,18,20,23)
InChIKeyDPJDXHQQCRYJME-UHFFFAOYSA-N
XLogP2.69
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(6-cyclopropylpyridazin-3-yl)-1-methyl-1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)urea with MolForge

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Related Compounds

1-cyclopropyl-3-(6-cyclopropylpyridazin-3-yl)-1-(furan-3-ylmethyl)urea
CID 146138751
5-cyclopropyl-N-(6-cyclopropylpyridazin-3-yl)-1-methylpyrazole-4-carboxamide
CID 127326975
N-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide
CID 129135995
N-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide
CID 123960085
1-(6-cyclopropylpyridazin-3-yl)-3-(1,1,1-trifluoropropan-2-yl)urea
CID 126796624
methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate
CID 116972034
1-(6-cyclopropylpyridazin-3-yl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea
CID 126820702
N-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 136554466
6-cyclobutyl-N-(6-cyclopropylpyridazin-3-yl)-1,4-oxazepane-4-carboxamide
CID 128508404
N-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 128508405
1-[[6-(1-methylpiperidin-3-yl)pyridazin-3-yl]amino]propan-2-one
CID 116972135
N-ethyl-6-(1-methylpiperidin-4-yl)pyridazin-3-amine
CID 116973215

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclopropylpyridazin-3-yl)-1-methyl-1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)urea?
The IUPAC name of 3-(6-cyclopropylpyridazin-3-yl)-1-methyl-1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)urea (CID 154764925) is 3-(6-cyclopropylpyridazin-3-yl)-1-methyl-1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)urea.
What is the SMILES notation for 3-(6-cyclopropylpyridazin-3-yl)-1-methyl-1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)urea?
The canonical SMILES for 3-(6-cyclopropylpyridazin-3-yl)-1-methyl-1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)urea is CN(C(=O)Nc1ccc(C2CC2)nn1)C(C)(C)CN1CCCC1.
What is the InChIKey of 3-(6-cyclopropylpyridazin-3-yl)-1-methyl-1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)urea?
The InChIKey is DPJDXHQQCRYJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-17(2,12-22-10-4-5-11-22)21(3)16(23)18-15-9-8-14(19-20-15)13-6-7-13/h8-9,13H,4-7,10-12H2,1-3H3,(H,18,20,23).
What are the key properties of 3-(6-cyclopropylpyridazin-3-yl)-1-methyl-1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)urea?
3-(6-cyclopropylpyridazin-3-yl)-1-methyl-1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)urea has a molecular weight of 317.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyclopropylpyridazin-3-yl)-1-methyl-1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)urea is sourced from PubChem (CID 154764925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).