1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea

C15H19N5O2 — CID 113048242

IUPAC1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
SMILESCOc1cccc(Nc2ccc(NC(=O)NC(C)C)nn2)c1
InChIInChI=1S/C15H19N5O2/c1-10(2)16-15(21)18-14-8-7-13(19-20-14)17-11-5-4-6-12(9-11)22-3/h4-10H,1-3H3,(H,17,19)(H2,16,18,20,21)
InChIKeyFJQQYCWLJSPMNW-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.76
Rot. Bonds5

About 1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea

1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea (PubChem CID 113048242) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
PubChem CID113048242
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
SMILESCOc1cccc(Nc2ccc(NC(=O)NC(C)C)nn2)c1
InChIInChI=1S/C15H19N5O2/c1-10(2)16-15(21)18-14-8-7-13(19-20-14)17-11-5-4-6-12(9-11)22-3/h4-10H,1-3H3,(H,17,19)(H2,16,18,20,21)
InChIKeyFJQQYCWLJSPMNW-UHFFFAOYSA-N
XLogP2.76
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113048339
2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide
CID 113048221
N-[6-(3-methoxyanilino)pyridazin-3-yl]pentanamide
CID 113048182
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113048215
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113048189
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048225
N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048185
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109129247
N-(3-methoxyphenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126899
N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128208
1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113034206
4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180581

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea (CID 113048242) is 1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea is COc1cccc(Nc2ccc(NC(=O)NC(C)C)nn2)c1.
What is the InChIKey of 1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea?
The InChIKey is FJQQYCWLJSPMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10(2)16-15(21)18-14-8-7-13(19-20-14)17-11-5-4-6-12(9-11)22-3/h4-10H,1-3H3,(H,17,19)(H2,16,18,20,21).
What are the key properties of 1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea?
1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea has a molecular weight of 301.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 113048242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).