1-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea

C14H19N5O — CID 99802607

IUPAC1-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea
SMILESCc1nc(NC(=O)N[C@H](C)c2ccccc2C)n(C)n1
InChIInChI=1S/C14H19N5O/c1-9-7-5-6-8-12(9)10(2)15-14(20)17-13-16-11(3)18-19(13)4/h5-8,10H,1-4H3,(H2,15,16,17,18,20)/t10-/m1/s1
InChIKeyAQPZLDSONAAHTO-SNVBAGLBSA-N
MW273.34 g/mol
LogP2.31
Rot. Bonds3

About 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea

1-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea (PubChem CID 99802607) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea
PubChem CID99802607
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea
SMILESCc1nc(NC(=O)N[C@H](C)c2ccccc2C)n(C)n1
InChIInChI=1S/C14H19N5O/c1-9-7-5-6-8-12(9)10(2)15-14(20)17-13-16-11(3)18-19(13)4/h5-8,10H,1-4H3,(H2,15,16,17,18,20)/t10-/m1/s1
InChIKeyAQPZLDSONAAHTO-SNVBAGLBSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea (CID 99802607) is 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea is Cc1nc(NC(=O)N[C@H](C)c2ccccc2C)n(C)n1.
What is the InChIKey of 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea?
The InChIKey is AQPZLDSONAAHTO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-7-5-6-8-12(9)10(2)15-14(20)17-13-16-11(3)18-19(13)4/h5-8,10H,1-4H3,(H2,15,16,17,18,20)/t10-/m1/s1.
What are the key properties of 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea?
1-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea has a molecular weight of 273.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 99802607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).