1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrrole-2-carboxamide

C13H17N5O2 — CID 118741080

IUPAC1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrrole-2-carboxamide
SMILESCc1nnn2c1COC(CNC(=O)c1cccn1C)C2
InChIInChI=1S/C13H17N5O2/c1-9-12-8-20-10(7-18(12)16-15-9)6-14-13(19)11-4-3-5-17(11)2/h3-5,10H,6-8H2,1-2H3,(H,14,19)
InChIKeyASFSWKXTHOSQHD-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.25
Rot. Bonds3

About 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrrole-2-carboxamide

1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrrole-2-carboxamide (PubChem CID 118741080) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrrole-2-carboxamide
PubChem CID118741080
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrrole-2-carboxamide
SMILESCc1nnn2c1COC(CNC(=O)c1cccn1C)C2
InChIInChI=1S/C13H17N5O2/c1-9-12-8-20-10(7-18(12)16-15-9)6-14-13(19)11-4-3-5-17(11)2/h3-5,10H,6-8H2,1-2H3,(H,14,19)
InChIKeyASFSWKXTHOSQHD-UHFFFAOYSA-N
XLogP0.25
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrrole-2-carboxamide (CID 118741080) is 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrrole-2-carboxamide is Cc1nnn2c1COC(CNC(=O)c1cccn1C)C2.
What is the InChIKey of 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is ASFSWKXTHOSQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-12-8-20-10(7-18(12)16-15-9)6-14-13(19)11-4-3-5-17(11)2/h3-5,10H,6-8H2,1-2H3,(H,14,19).
What are the key properties of 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrrole-2-carboxamide?
1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 118741080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).