1-(2,4-dimethylphenyl)-3-(1-propan-2-yltriazol-4-yl)urea

C14H19N5O — CID 167868735

IUPAC1-(2,4-dimethylphenyl)-3-(1-propan-2-yltriazol-4-yl)urea
SMILESCc1ccc(NC(=O)Nc2cn(C(C)C)nn2)c(C)c1
InChIInChI=1S/C14H19N5O/c1-9(2)19-8-13(17-18-19)16-14(20)15-12-6-5-10(3)7-11(12)4/h5-9H,1-4H3,(H2,15,16,20)
InChIKeyRWAOOUZMFYIIHR-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.12
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-3-(1-propan-2-yltriazol-4-yl)urea

1-(2,4-dimethylphenyl)-3-(1-propan-2-yltriazol-4-yl)urea (PubChem CID 167868735) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(1-propan-2-yltriazol-4-yl)urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(1-propan-2-yltriazol-4-yl)urea
PubChem CID167868735
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-(2,4-dimethylphenyl)-3-(1-propan-2-yltriazol-4-yl)urea
SMILESCc1ccc(NC(=O)Nc2cn(C(C)C)nn2)c(C)c1
InChIInChI=1S/C14H19N5O/c1-9(2)19-8-13(17-18-19)16-14(20)15-12-6-5-10(3)7-11(12)4/h5-9H,1-4H3,(H2,15,16,20)
InChIKeyRWAOOUZMFYIIHR-UHFFFAOYSA-N
XLogP3.12
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991287
1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887302
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886354
1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890301
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea
CID 61341644
4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
CID 17374992
3-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid
CID 61187279
1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 40637085
(2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 945244
(3R)-N-(2,4-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708020

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(1-propan-2-yltriazol-4-yl)urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(1-propan-2-yltriazol-4-yl)urea (CID 167868735) is 1-(2,4-dimethylphenyl)-3-(1-propan-2-yltriazol-4-yl)urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(1-propan-2-yltriazol-4-yl)urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(1-propan-2-yltriazol-4-yl)urea is Cc1ccc(NC(=O)Nc2cn(C(C)C)nn2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(1-propan-2-yltriazol-4-yl)urea?
The InChIKey is RWAOOUZMFYIIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9(2)19-8-13(17-18-19)16-14(20)15-12-6-5-10(3)7-11(12)4/h5-9H,1-4H3,(H2,15,16,20).
What are the key properties of 1-(2,4-dimethylphenyl)-3-(1-propan-2-yltriazol-4-yl)urea?
1-(2,4-dimethylphenyl)-3-(1-propan-2-yltriazol-4-yl)urea has a molecular weight of 273.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(1-propan-2-yltriazol-4-yl)urea is sourced from PubChem (CID 167868735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).