1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea

C19H26N6O2 — CID 113043694

IUPAC1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)NC(C)C)nn2)CC1
InChIInChI=1S/C19H26N6O2/c1-14(2)20-19(26)21-17-8-9-18(23-22-17)25-12-10-24(11-13-25)15-6-4-5-7-16(15)27-3/h4-9,14H,10-13H2,1-3H3,(H2,20,21,22,26)
InChIKeyDNFBGTCAYZQXCK-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.34
Rot. Bonds5

About 1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea

1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea (PubChem CID 113043694) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea
PubChem CID113043694
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)NC(C)C)nn2)CC1
InChIInChI=1S/C19H26N6O2/c1-14(2)20-19(26)21-17-8-9-18(23-22-17)25-12-10-24(11-13-25)15-6-4-5-7-16(15)27-3/h4-9,14H,10-13H2,1-3H3,(H2,20,21,22,26)
InChIKeyDNFBGTCAYZQXCK-UHFFFAOYSA-N
XLogP2.34
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide
CID 113043687
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 53023459
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111214
[4-(2-methoxyphenyl)piperazin-1-yl]-(6-piperidin-1-ylpyridazin-3-yl)methanone
CID 109112503
N-(2,3-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53002971
N-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53109106
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide
CID 113043749
2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid
CID 22681684
ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043584
5-[(4-chlorophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylbenzamide
CID 1064627
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide
CID 109123968
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea (CID 113043694) is 1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea is COc1ccccc1N1CCN(c2ccc(NC(=O)NC(C)C)nn2)CC1.
What is the InChIKey of 1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea?
The InChIKey is DNFBGTCAYZQXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-14(2)20-19(26)21-17-8-9-18(23-22-17)25-12-10-24(11-13-25)15-6-4-5-7-16(15)27-3/h4-9,14H,10-13H2,1-3H3,(H2,20,21,22,26).
What are the key properties of 1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea?
1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea has a molecular weight of 370.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 113043694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).