1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea

C15H21N5O2 — CID 154783898

IUPAC1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea
SMILESCc1cc(CO)cc(C)c1CNC(=O)Nc1nc(C)n(C)n1
InChIInChI=1S/C15H21N5O2/c1-9-5-12(8-21)6-10(2)13(9)7-16-15(22)18-14-17-11(3)20(4)19-14/h5-6,21H,7-8H2,1-4H3,(H2,16,18,19,22)
InChIKeyVCBUZXOEDYNDAD-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.55
Rot. Bonds4

About 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea

1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea (PubChem CID 154783898) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea.

Molecular Properties

Compound Name1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea
PubChem CID154783898
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea
SMILESCc1cc(CO)cc(C)c1CNC(=O)Nc1nc(C)n(C)n1
InChIInChI=1S/C15H21N5O2/c1-9-5-12(8-21)6-10(2)13(9)7-16-15(22)18-14-17-11(3)20(4)19-14/h5-6,21H,7-8H2,1-4H3,(H2,16,18,19,22)
InChIKeyVCBUZXOEDYNDAD-UHFFFAOYSA-N
XLogP1.55
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,5-dimethylphenyl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea
CID 46996826
1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea
CID 138025385
1-[(2,5-dimethylphenyl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea;2,2,2-trifluoroacetic acid
CID 154890585
1-(1-benzothiophen-2-ylmethyl)-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea
CID 46982365
1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea
CID 138028018
1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 46995075
3-bromo-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthiophene-2-carboxamide
CID 146087526
1-[(4-methoxyphenyl)methyl]-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea
CID 46983223
N-[4-(hydroxymethyl)-2,6-dimethylphenyl]acetamide
CID 168944592
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
1-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 31225510
1-benzyl-3-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]urea
CID 177386987

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea?
The IUPAC name of 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea (CID 154783898) is 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea.
What is the SMILES notation for 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea?
The canonical SMILES for 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea is Cc1cc(CO)cc(C)c1CNC(=O)Nc1nc(C)n(C)n1.
What is the InChIKey of 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea?
The InChIKey is VCBUZXOEDYNDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-9-5-12(8-21)6-10(2)13(9)7-16-15(22)18-14-17-11(3)20(4)19-14/h5-6,21H,7-8H2,1-4H3,(H2,16,18,19,22).
What are the key properties of 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea?
1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea has a molecular weight of 303.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea is sourced from PubChem (CID 154783898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).