1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea

C17H21N5O3 — CID 113043387

IUPAC1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea
SMILESCOc1ccc(CNc2ccc(NC(=O)NC3CC3)nn2)cc1OC
InChIInChI=1S/C17H21N5O3/c1-24-13-6-3-11(9-14(13)25-2)10-18-15-7-8-16(22-21-15)20-17(23)19-12-4-5-12/h3,6-9,12H,4-5,10H2,1-2H3,(H,18,21)(H2,19,20,22,23)
InChIKeyURFSQUZEESZRCH-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.39
Rot. Bonds7

About 1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea

1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea (PubChem CID 113043387) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea
PubChem CID113043387
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea
SMILESCOc1ccc(CNc2ccc(NC(=O)NC3CC3)nn2)cc1OC
InChIInChI=1S/C17H21N5O3/c1-24-13-6-3-11(9-14(13)25-2)10-18-15-7-8-16(22-21-15)20-17(23)19-12-4-5-12/h3,6-9,12H,4-5,10H2,1-2H3,(H,18,21)(H2,19,20,22,23)
InChIKeyURFSQUZEESZRCH-UHFFFAOYSA-N
XLogP2.39
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113043378
1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea
CID 113042810
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide
CID 113043351
1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea
CID 113039466
N-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109166273
N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109285915
6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109109847
6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide
CID 109123429
N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide
CID 167906219
4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144703
3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109050721
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041743

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea (CID 113043387) is 1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea is COc1ccc(CNc2ccc(NC(=O)NC3CC3)nn2)cc1OC.
What is the InChIKey of 1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea?
The InChIKey is URFSQUZEESZRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-24-13-6-3-11(9-14(13)25-2)10-18-15-7-8-16(22-21-15)20-17(23)19-12-4-5-12/h3,6-9,12H,4-5,10H2,1-2H3,(H,18,21)(H2,19,20,22,23).
What are the key properties of 1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea?
1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea has a molecular weight of 343.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea is sourced from PubChem (CID 113043387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).