1-(3-methoxyphenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea

C12H15N5O3 — CID 141494846

IUPAC1-(3-methoxyphenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea
SMILESCOc1cccc(NC(=O)NN2CC(C)=NNC2=O)c1
InChIInChI=1S/C12H15N5O3/c1-8-7-17(12(19)15-14-8)16-11(18)13-9-4-3-5-10(6-9)20-2/h3-6H,7H2,1-2H3,(H,15,19)(H2,13,16,18)
InChIKeyCCSUUGVDPKDIIT-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.13
Rot. Bonds3

About 1-(3-methoxyphenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea

1-(3-methoxyphenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea (PubChem CID 141494846) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea
PubChem CID141494846
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name1-(3-methoxyphenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea
SMILESCOc1cccc(NC(=O)NN2CC(C)=NNC2=O)c1
InChIInChI=1S/C12H15N5O3/c1-8-7-17(12(19)15-14-8)16-11(18)13-9-4-3-5-10(6-9)20-2/h3-6H,7H2,1-2H3,(H,15,19)(H2,13,16,18)
InChIKeyCCSUUGVDPKDIIT-UHFFFAOYSA-N
XLogP1.13
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
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1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
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methane;N-(3-methoxyphenyl)acetamide
CID 161026095
1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 48740743
1-cyano-3-(3-methoxyphenyl)urea
CID 22351200
ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate
CID 13221153
4-[(3-methoxyphenyl)carbamoylamino]-N-methylbenzamide
CID 17180805
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CID 6464398

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea (CID 141494846) is 1-(3-methoxyphenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea is COc1cccc(NC(=O)NN2CC(C)=NNC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea?
The InChIKey is CCSUUGVDPKDIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-8-7-17(12(19)15-14-8)16-11(18)13-9-4-3-5-10(6-9)20-2/h3-6H,7H2,1-2H3,(H,15,19)(H2,13,16,18).
What are the key properties of 1-(3-methoxyphenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea?
1-(3-methoxyphenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea has a molecular weight of 277.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea is sourced from PubChem (CID 141494846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).