1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)urea

C16H15FN6O — CID 167773678

IUPAC1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)urea
SMILESO=C(Nc1nnc2cnccn12)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H15FN6O/c17-12-3-1-11(2-4-12)10-23(13-5-6-13)16(24)19-15-21-20-14-9-18-7-8-22(14)15/h1-4,7-9,13H,5-6,10H2,(H,19,21,24)
InChIKeyWQIDNQQAWPUSGB-UHFFFAOYSA-N
MW326.34 g/mol
LogP2.46
Rot. Bonds4

About 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)urea

1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)urea (PubChem CID 167773678) has the molecular formula C16H15FN6O and a molecular weight of 326.34 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)urea
PubChem CID167773678
Molecular FormulaC16H15FN6O
Molecular Weight326.34 g/mol
Exact Mass326.13
IUPAC Name1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)urea
SMILESO=C(Nc1nnc2cnccn12)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H15FN6O/c17-12-3-1-11(2-4-12)10-23(13-5-6-13)16(24)19-15-21-20-14-9-18-7-8-22(14)15/h1-4,7-9,13H,5-6,10H2,(H,19,21,24)
InChIKeyWQIDNQQAWPUSGB-UHFFFAOYSA-N
XLogP2.46
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)urea?
The IUPAC name of 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)urea (CID 167773678) is 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)urea.
What is the SMILES notation for 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)urea?
The canonical SMILES for 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)urea is O=C(Nc1nnc2cnccn12)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)urea?
The InChIKey is WQIDNQQAWPUSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O/c17-12-3-1-11(2-4-12)10-23(13-5-6-13)16(24)19-15-21-20-14-9-18-7-8-22(14)15/h1-4,7-9,13H,5-6,10H2,(H,19,21,24).
What are the key properties of 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)urea?
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)urea has a molecular weight of 326.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)urea is sourced from PubChem (CID 167773678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).