1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea

C21H20N6O2 — CID 92612776

IUPAC1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(-c3cn4nc(C)c(C)nc4n3)cc2)c1
InChIInChI=1S/C21H20N6O2/c1-13-14(2)26-27-12-19(25-20(27)22-13)15-7-9-16(10-8-15)23-21(28)24-17-5-4-6-18(11-17)29-3/h4-12H,1-3H3,(H2,23,24,28)
InChIKeyQUESZIUEBFSGEH-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.06
Rot. Bonds4

About 1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea

1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea (PubChem CID 92612776) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea
PubChem CID92612776
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(-c3cn4nc(C)c(C)nc4n3)cc2)c1
InChIInChI=1S/C21H20N6O2/c1-13-14(2)26-27-12-19(25-20(27)22-13)15-7-9-16(10-8-15)23-21(28)24-17-5-4-6-18(11-17)29-3/h4-12H,1-3H3,(H2,23,24,28)
InChIKeyQUESZIUEBFSGEH-UHFFFAOYSA-N
XLogP4.06
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea with MolForge

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Related Compounds

N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]acetamide
CID 46981353
1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 121089854
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
CID 4519858
cis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide
CID 92612806
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea
CID 50748093
(2R)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]oxolane-2-carboxamide
CID 92612815
4-[(3-methoxyphenyl)carbamoylamino]-N-methylbenzamide
CID 17180805
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea (CID 92612776) is 1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc(-c3cn4nc(C)c(C)nc4n3)cc2)c1.
What is the InChIKey of 1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea?
The InChIKey is QUESZIUEBFSGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-13-14(2)26-27-12-19(25-20(27)22-13)15-7-9-16(10-8-15)23-21(28)24-17-5-4-6-18(11-17)29-3/h4-12H,1-3H3,(H2,23,24,28).
What are the key properties of 1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea?
1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea has a molecular weight of 388.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 92612776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).