1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea

C22H25N5O3 — CID 10319226

IUPAC1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea
SMILESCOc1ccc(-c2nnc(CNC(=O)NC(C)C)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H25N5O3/c1-14(2)24-22(28)23-13-19-25-20(15-5-9-17(29-3)10-6-15)21(27-26-19)16-7-11-18(30-4)12-8-16/h5-12,14H,13H2,1-4H3,(H2,23,24,28)
InChIKeyUGBIVRZGEUUFBV-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.43
Rot. Bonds7

About 1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea

1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea (PubChem CID 10319226) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea
PubChem CID10319226
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea
SMILESCOc1ccc(-c2nnc(CNC(=O)NC(C)C)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H25N5O3/c1-14(2)24-22(28)23-13-19-25-20(15-5-9-17(29-3)10-6-15)21(27-26-19)16-7-11-18(30-4)12-8-16/h5-12,14H,13H2,1-4H3,(H2,23,24,28)
InChIKeyUGBIVRZGEUUFBV-UHFFFAOYSA-N
XLogP3.43
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea with MolForge

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Related Compounds

1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea
CID 95096708
1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea
CID 67854777
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-[[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea
CID 110669205
1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47216205
5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110392031
N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993636
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 896971
1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108893562
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352

Frequently Asked Questions

What is the IUPAC name of 1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea (CID 10319226) is 1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea is COc1ccc(-c2nnc(CNC(=O)NC(C)C)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea?
The InChIKey is UGBIVRZGEUUFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14(2)24-22(28)23-13-19-25-20(15-5-9-17(29-3)10-6-15)21(27-26-19)16-7-11-18(30-4)12-8-16/h5-12,14H,13H2,1-4H3,(H2,23,24,28).
What are the key properties of 1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea?
1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea has a molecular weight of 407.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 10319226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).