1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(1,2,4-triazol-4-yl)urea

C15H19N5O — CID 2312128

IUPAC1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(1,2,4-triazol-4-yl)urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nn2cnnc2)c1
InChIInChI=1S/C15H19N5O/c1-11(2)12-6-5-7-13(8-12)15(3,4)18-14(21)19-20-9-16-17-10-20/h5-10H,1H2,2-4H3,(H2,18,19,21)
InChIKeyVDLIGDCHYMDYJE-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.50
Rot. Bonds4

About 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(1,2,4-triazol-4-yl)urea

1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(1,2,4-triazol-4-yl)urea (PubChem CID 2312128) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(1,2,4-triazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(1,2,4-triazol-4-yl)urea
PubChem CID2312128
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(1,2,4-triazol-4-yl)urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nn2cnnc2)c1
InChIInChI=1S/C15H19N5O/c1-11(2)12-6-5-7-13(8-12)15(3,4)18-14(21)19-20-9-16-17-10-20/h5-10H,1H2,2-4H3,(H2,18,19,21)
InChIKeyVDLIGDCHYMDYJE-UHFFFAOYSA-N
XLogP2.50
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(1,2,4-triazol-4-yl)urea?
The IUPAC name of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(1,2,4-triazol-4-yl)urea (CID 2312128) is 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(1,2,4-triazol-4-yl)urea.
What is the SMILES notation for 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(1,2,4-triazol-4-yl)urea?
The canonical SMILES for 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(1,2,4-triazol-4-yl)urea is C=C(C)c1cccc(C(C)(C)NC(=O)Nn2cnnc2)c1.
What is the InChIKey of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(1,2,4-triazol-4-yl)urea?
The InChIKey is VDLIGDCHYMDYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11(2)12-6-5-7-13(8-12)15(3,4)18-14(21)19-20-9-16-17-10-20/h5-10H,1H2,2-4H3,(H2,18,19,21).
What are the key properties of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(1,2,4-triazol-4-yl)urea?
1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(1,2,4-triazol-4-yl)urea has a molecular weight of 285.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(1,2,4-triazol-4-yl)urea is sourced from PubChem (CID 2312128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).