4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile

C8H9N5O2 — CID 78945733

IUPAC4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cn[nH]n2)CCO1
InChIInChI=1S/C8H9N5O2/c9-3-6-5-13(1-2-15-6)8(14)7-4-10-12-11-7/h4,6H,1-2,5H2,(H,10,11,12)
InChIKeyGUVDKJDTTWYNMI-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.83
Rot. Bonds1

About 4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile

4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile (PubChem CID 78945733) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile
PubChem CID78945733
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cn[nH]n2)CCO1
InChIInChI=1S/C8H9N5O2/c9-3-6-5-13(1-2-15-6)8(14)7-4-10-12-11-7/h4,6H,1-2,5H2,(H,10,11,12)
InChIKeyGUVDKJDTTWYNMI-UHFFFAOYSA-N
XLogP-0.83
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile (CID 78945733) is 4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2cn[nH]n2)CCO1.
What is the InChIKey of 4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile?
The InChIKey is GUVDKJDTTWYNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c9-3-6-5-13(1-2-15-6)8(14)7-4-10-12-11-7/h4,6H,1-2,5H2,(H,10,11,12).
What are the key properties of 4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile?
4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile has a molecular weight of 207.19 g/mol, XLogP of -0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78945733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).