(2-methylmorpholin-3-yl)-(2-methyltriazol-4-yl)methanone

C9H14N4O2 — CID 130625566

IUPAC(2-methylmorpholin-3-yl)-(2-methyltriazol-4-yl)methanone
SMILESCC1OCCNC1C(=O)c1cnn(C)n1
InChIInChI=1S/C9H14N4O2/c1-6-8(10-3-4-15-6)9(14)7-5-11-13(2)12-7/h5-6,8,10H,3-4H2,1-2H3
InChIKeyZZRZVMTXCXYENH-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.63
Rot. Bonds2

About (2-methylmorpholin-3-yl)-(2-methyltriazol-4-yl)methanone

(2-methylmorpholin-3-yl)-(2-methyltriazol-4-yl)methanone (PubChem CID 130625566) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is (2-methylmorpholin-3-yl)-(2-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(2-methylmorpholin-3-yl)-(2-methyltriazol-4-yl)methanone
PubChem CID130625566
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name(2-methylmorpholin-3-yl)-(2-methyltriazol-4-yl)methanone
SMILESCC1OCCNC1C(=O)c1cnn(C)n1
InChIInChI=1S/C9H14N4O2/c1-6-8(10-3-4-15-6)9(14)7-5-11-13(2)12-7/h5-6,8,10H,3-4H2,1-2H3
InChIKeyZZRZVMTXCXYENH-UHFFFAOYSA-N
XLogP-0.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methylmorpholin-3-yl)-(2-methyltriazol-4-yl)methanone?
The IUPAC name of (2-methylmorpholin-3-yl)-(2-methyltriazol-4-yl)methanone (CID 130625566) is (2-methylmorpholin-3-yl)-(2-methyltriazol-4-yl)methanone.
What is the SMILES notation for (2-methylmorpholin-3-yl)-(2-methyltriazol-4-yl)methanone?
The canonical SMILES for (2-methylmorpholin-3-yl)-(2-methyltriazol-4-yl)methanone is CC1OCCNC1C(=O)c1cnn(C)n1.
What is the InChIKey of (2-methylmorpholin-3-yl)-(2-methyltriazol-4-yl)methanone?
The InChIKey is ZZRZVMTXCXYENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-8(10-3-4-15-6)9(14)7-5-11-13(2)12-7/h5-6,8,10H,3-4H2,1-2H3.
What are the key properties of (2-methylmorpholin-3-yl)-(2-methyltriazol-4-yl)methanone?
(2-methylmorpholin-3-yl)-(2-methyltriazol-4-yl)methanone has a molecular weight of 210.24 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylmorpholin-3-yl)-(2-methyltriazol-4-yl)methanone is sourced from PubChem (CID 130625566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).