2-cyclopropyl-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide

C15H20N6O2 — CID 97391395

IUPAC2-cyclopropyl-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
SMILESCn1nccc1-c1nnn2c1CO[C@H](CNC(=O)CC1CC1)C2
InChIInChI=1S/C15H20N6O2/c1-20-12(4-5-17-20)15-13-9-23-11(8-21(13)19-18-15)7-16-14(22)6-10-2-3-10/h4-5,10-11H,2-3,6-9H2,1H3,(H,16,22)/t11-/m1/s1
InChIKeyFENKJCXUQHIDRW-LLVKDONJSA-N
MW316.37 g/mol
LogP0.49
Rot. Bonds5

About 2-cyclopropyl-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide

2-cyclopropyl-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide (PubChem CID 97391395) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
PubChem CID97391395
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name2-cyclopropyl-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
SMILESCn1nccc1-c1nnn2c1CO[C@H](CNC(=O)CC1CC1)C2
InChIInChI=1S/C15H20N6O2/c1-20-12(4-5-17-20)15-13-9-23-11(8-21(13)19-18-15)7-16-14(22)6-10-2-3-10/h4-5,10-11H,2-3,6-9H2,1H3,(H,16,22)/t11-/m1/s1
InChIKeyFENKJCXUQHIDRW-LLVKDONJSA-N
XLogP0.49
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide (CID 97391395) is 2-cyclopropyl-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide is Cn1nccc1-c1nnn2c1CO[C@H](CNC(=O)CC1CC1)C2.
What is the InChIKey of 2-cyclopropyl-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
The InChIKey is FENKJCXUQHIDRW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-20-12(4-5-17-20)15-13-9-23-11(8-21(13)19-18-15)7-16-14(22)6-10-2-3-10/h4-5,10-11H,2-3,6-9H2,1H3,(H,16,22)/t11-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
2-cyclopropyl-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide has a molecular weight of 316.37 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide is sourced from PubChem (CID 97391395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).