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

C11H14N4OS — CID 118739135

IUPAC1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESc1cc(CNCC2Cn3nncc3CO2)cs1
InChIInChI=1S/C11H14N4OS/c1-2-17-8-9(1)3-12-5-11-6-15-10(7-16-11)4-13-14-15/h1-2,4,8,11-12H,3,5-7H2
InChIKeyZSMIHRBLEVUVEA-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.03
Rot. Bonds4

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

1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 118739135) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(thiophen-3-ylmethyl)methanamine
PubChem CID118739135
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESc1cc(CNCC2Cn3nncc3CO2)cs1
InChIInChI=1S/C11H14N4OS/c1-2-17-8-9(1)3-12-5-11-6-15-10(7-16-11)4-13-14-15/h1-2,4,8,11-12H,3,5-7H2
InChIKeyZSMIHRBLEVUVEA-UHFFFAOYSA-N
XLogP1.03
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(thiophen-3-ylmethyl)methanamine (CID 118739135) is 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(thiophen-3-ylmethyl)methanamine is c1cc(CNCC2Cn3nncc3CO2)cs1.
What is the InChIKey of 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is ZSMIHRBLEVUVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-2-17-8-9(1)3-12-5-11-6-15-10(7-16-11)4-13-14-15/h1-2,4,8,11-12H,3,5-7H2.
What are the key properties of 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(thiophen-3-ylmethyl)methanamine?
1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 250.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 118739135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).