(6R)-6-phenyl-N-(3-pyrazol-1-ylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide

C18H20N6O2 — CID 125126393

IUPAC(6R)-6-phenyl-N-(3-pyrazol-1-ylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESO=C(NCCCn1cccn1)c1nnn2c1CO[C@H](c1ccccc1)C2
InChIInChI=1S/C18H20N6O2/c25-18(19-8-4-10-23-11-5-9-20-23)17-15-13-26-16(12-24(15)22-21-17)14-6-2-1-3-7-14/h1-3,5-7,9,11,16H,4,8,10,12-13H2,(H,19,25)/t16-/m0/s1
InChIKeyFUUNNBVDNHULCP-INIZCTEOSA-N
MW352.40 g/mol
LogP1.57
Rot. Bonds6

About (6R)-6-phenyl-N-(3-pyrazol-1-ylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide

(6R)-6-phenyl-N-(3-pyrazol-1-ylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (PubChem CID 125126393) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is (6R)-6-phenyl-N-(3-pyrazol-1-ylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.

Molecular Properties

Compound Name(6R)-6-phenyl-N-(3-pyrazol-1-ylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
PubChem CID125126393
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name(6R)-6-phenyl-N-(3-pyrazol-1-ylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESO=C(NCCCn1cccn1)c1nnn2c1CO[C@H](c1ccccc1)C2
InChIInChI=1S/C18H20N6O2/c25-18(19-8-4-10-23-11-5-9-20-23)17-15-13-26-16(12-24(15)22-21-17)14-6-2-1-3-7-14/h1-3,5-7,9,11,16H,4,8,10,12-13H2,(H,19,25)/t16-/m0/s1
InChIKeyFUUNNBVDNHULCP-INIZCTEOSA-N
XLogP1.57
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-phenyl-N-(3-pyrazol-1-ylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The IUPAC name of (6R)-6-phenyl-N-(3-pyrazol-1-ylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (CID 125126393) is (6R)-6-phenyl-N-(3-pyrazol-1-ylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.
What is the SMILES notation for (6R)-6-phenyl-N-(3-pyrazol-1-ylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The canonical SMILES for (6R)-6-phenyl-N-(3-pyrazol-1-ylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is O=C(NCCCn1cccn1)c1nnn2c1CO[C@H](c1ccccc1)C2.
What is the InChIKey of (6R)-6-phenyl-N-(3-pyrazol-1-ylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The InChIKey is FUUNNBVDNHULCP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-18(19-8-4-10-23-11-5-9-20-23)17-15-13-26-16(12-24(15)22-21-17)14-6-2-1-3-7-14/h1-3,5-7,9,11,16H,4,8,10,12-13H2,(H,19,25)/t16-/m0/s1.
What are the key properties of (6R)-6-phenyl-N-(3-pyrazol-1-ylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
(6R)-6-phenyl-N-(3-pyrazol-1-ylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-phenyl-N-(3-pyrazol-1-ylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is sourced from PubChem (CID 125126393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).