1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea

C14H19N5O — CID 121176898

IUPAC1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea
SMILESCC(C)C(Cn1nccn1)NC(=O)Nc1ccccc1
InChIInChI=1S/C14H19N5O/c1-11(2)13(10-19-15-8-9-16-19)18-14(20)17-12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3,(H2,17,18,20)
InChIKeyUDKYGEOITGLPRJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.12
Rot. Bonds5

About 1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea

1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea (PubChem CID 121176898) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea
PubChem CID121176898
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea
SMILESCC(C)C(Cn1nccn1)NC(=O)Nc1ccccc1
InChIInChI=1S/C14H19N5O/c1-11(2)13(10-19-15-8-9-16-19)18-14(20)17-12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3,(H2,17,18,20)
InChIKeyUDKYGEOITGLPRJ-UHFFFAOYSA-N
XLogP2.12
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-3-[3-methyl-1-(triazol-2-yl)butan-2-yl]urea
CID 121176932
(E)-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylprop-2-enamide
CID 129447738
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide
CID 129417735
3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121018999
1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218
1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
CID 27734199
1-(4-hydroxybutan-2-yl)-3-phenylurea
CID 78998445
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 129417433
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide
CID 129416978
N-[3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 121176846
(3S)-3-(phenylcarbamoylamino)butanamide
CID 95777024
1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea
CID 121176489

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea?
The IUPAC name of 1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea (CID 121176898) is 1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea?
The canonical SMILES for 1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea is CC(C)C(Cn1nccn1)NC(=O)Nc1ccccc1.
What is the InChIKey of 1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea?
The InChIKey is UDKYGEOITGLPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11(2)13(10-19-15-8-9-16-19)18-14(20)17-12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea?
1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea has a molecular weight of 273.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea is sourced from PubChem (CID 121176898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).