4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine

C9H16N4O — CID 170366672

IUPAC4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine
SMILESCC(C)N1CCOC(c2ncn[nH]2)C1
InChIInChI=1S/C9H16N4O/c1-7(2)13-3-4-14-8(5-13)9-10-6-11-12-9/h6-8H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyHTERTFPLAZBCLT-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.59
Rot. Bonds2

About 4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine

4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine (PubChem CID 170366672) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine.

Molecular Properties

Compound Name4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine
PubChem CID170366672
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine
SMILESCC(C)N1CCOC(c2ncn[nH]2)C1
InChIInChI=1S/C9H16N4O/c1-7(2)13-3-4-14-8(5-13)9-10-6-11-12-9/h6-8H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyHTERTFPLAZBCLT-UHFFFAOYSA-N
XLogP0.59
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine?
The IUPAC name of 4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine (CID 170366672) is 4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine.
What is the SMILES notation for 4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine?
The canonical SMILES for 4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine is CC(C)N1CCOC(c2ncn[nH]2)C1.
What is the InChIKey of 4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine?
The InChIKey is HTERTFPLAZBCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(2)13-3-4-14-8(5-13)9-10-6-11-12-9/h6-8H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine?
4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine has a molecular weight of 196.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine is sourced from PubChem (CID 170366672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).