2-deuteriotriazole

C2H3N3 — CID 138396079

IUPAC2-deuteriotriazole
SMILES[2H]n1nccn1
InChIInChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)/i/hD
InChIKeyQWENRTYMTSOGBR-DYCDLGHISA-N
MW70.07 g/mol
LogP-0.20
Rot. Bonds

About 2-deuteriotriazole

2-deuteriotriazole (PubChem CID 138396079) has the molecular formula C2H3N3 and a molecular weight of 70.07 g/mol. Its IUPAC name is 2-deuteriotriazole.

Molecular Properties

Compound Name2-deuteriotriazole
PubChem CID138396079
Molecular FormulaC2H3N3
Molecular Weight70.07 g/mol
Exact Mass70.04
IUPAC Name2-deuteriotriazole
SMILES[2H]n1nccn1
InChIInChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)/i/hD
InChIKeyQWENRTYMTSOGBR-DYCDLGHISA-N
XLogP-0.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.07
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-deuteriotriazole?
The IUPAC name of 2-deuteriotriazole (CID 138396079) is 2-deuteriotriazole.
What is the SMILES notation for 2-deuteriotriazole?
The canonical SMILES for 2-deuteriotriazole is [2H]n1nccn1.
What is the InChIKey of 2-deuteriotriazole?
The InChIKey is QWENRTYMTSOGBR-DYCDLGHISA-N. The full InChI is InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)/i/hD.
What are the key properties of 2-deuteriotriazole?
2-deuteriotriazole has a molecular weight of 70.07 g/mol, XLogP of -0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuteriotriazole is sourced from PubChem (CID 138396079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).