1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea

C15H19N5O2 — CID 94156371

IUPAC1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCCn1cnnc1CNC(=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C15H19N5O2/c1-2-20-10-17-19-14(20)9-16-15(21)18-12-7-8-22-13-6-4-3-5-11(12)13/h3-6,10,12H,2,7-9H2,1H3,(H2,16,18,21)/t12-/m1/s1
InChIKeyGXYCKJMHZOZKLA-GFCCVEGCSA-N
MW301.35 g/mol
LogP1.62
Rot. Bonds4

About 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea

1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 94156371) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
PubChem CID94156371
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCCn1cnnc1CNC(=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C15H19N5O2/c1-2-20-10-17-19-14(20)9-16-15(21)18-12-7-8-22-13-6-4-3-5-11(12)13/h3-6,10,12H,2,7-9H2,1H3,(H2,16,18,21)/t12-/m1/s1
InChIKeyGXYCKJMHZOZKLA-GFCCVEGCSA-N
XLogP1.62
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea?
The IUPAC name of 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea (CID 94156371) is 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea?
The canonical SMILES for 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea is CCn1cnnc1CNC(=O)N[C@@H]1CCOc2ccccc21.
What is the InChIKey of 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea?
The InChIKey is GXYCKJMHZOZKLA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-2-20-10-17-19-14(20)9-16-15(21)18-12-7-8-22-13-6-4-3-5-11(12)13/h3-6,10,12H,2,7-9H2,1H3,(H2,16,18,21)/t12-/m1/s1.
What are the key properties of 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea?
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 301.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 94156371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).