(6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)methanamine

C12H14N4O — CID 121204792

IUPAC(6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)methanamine
SMILESNCc1nnn2c1COC(c1ccccc1)C2
InChIInChI=1S/C12H14N4O/c13-6-10-11-8-17-12(7-16(11)15-14-10)9-4-2-1-3-5-9/h1-5,12H,6-8,13H2
InChIKeyDMLQBARNFIFTGY-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.01
Rot. Bonds2

About (6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)methanamine

(6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)methanamine (PubChem CID 121204792) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is (6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)methanamine.

Molecular Properties

Compound Name(6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)methanamine
PubChem CID121204792
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name(6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)methanamine
SMILESNCc1nnn2c1COC(c1ccccc1)C2
InChIInChI=1S/C12H14N4O/c13-6-10-11-8-17-12(7-16(11)15-14-10)9-4-2-1-3-5-9/h1-5,12H,6-8,13H2
InChIKeyDMLQBARNFIFTGY-UHFFFAOYSA-N
XLogP1.01
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)methanamine?
The IUPAC name of (6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)methanamine (CID 121204792) is (6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)methanamine.
What is the SMILES notation for (6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)methanamine?
The canonical SMILES for (6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)methanamine is NCc1nnn2c1COC(c1ccccc1)C2.
What is the InChIKey of (6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)methanamine?
The InChIKey is DMLQBARNFIFTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-6-10-11-8-17-12(7-16(11)15-14-10)9-4-2-1-3-5-9/h1-5,12H,6-8,13H2.
What are the key properties of (6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)methanamine?
(6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)methanamine has a molecular weight of 230.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)methanamine is sourced from PubChem (CID 121204792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).