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

C13H24N4O — CID 131655515

IUPAC2-ethyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]butan-1-amine
SMILESCCC(CC)CNCC1Cn2nnc(C)c2CO1
InChIInChI=1S/C13H24N4O/c1-4-11(5-2)6-14-7-12-8-17-13(9-18-12)10(3)15-16-17/h11-12,14H,4-9H2,1-3H3
InChIKeyPQVRXKIIDAAHMM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.51
Rot. Bonds6

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

2-ethyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]butan-1-amine (PubChem CID 131655515) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-ethyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]butan-1-amine
PubChem CID131655515
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-ethyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]butan-1-amine
SMILESCCC(CC)CNCC1Cn2nnc(C)c2CO1
InChIInChI=1S/C13H24N4O/c1-4-11(5-2)6-14-7-12-8-17-13(9-18-12)10(3)15-16-17/h11-12,14H,4-9H2,1-3H3
InChIKeyPQVRXKIIDAAHMM-UHFFFAOYSA-N
XLogP1.51
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]butan-1-amine (CID 131655515) is 2-ethyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]butan-1-amine is CCC(CC)CNCC1Cn2nnc(C)c2CO1.
What is the InChIKey of 2-ethyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]butan-1-amine?
The InChIKey is PQVRXKIIDAAHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-11(5-2)6-14-7-12-8-17-13(9-18-12)10(3)15-16-17/h11-12,14H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]butan-1-amine?
2-ethyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]butan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]butan-1-amine is sourced from PubChem (CID 131655515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).