5-deuterio-1-methyltriazole

C3H5N3 — CID 10844334

IUPAC5-deuterio-1-methyltriazole
SMILES[2H]c1cnnn1C
InChIInChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3/i3D
InChIKeyJWAWEQBUZOGIBZ-WFVSFCRTSA-N
MW84.10 g/mol
LogP-0.18
Rot. Bonds

About 5-deuterio-1-methyltriazole

5-deuterio-1-methyltriazole (PubChem CID 10844334) has the molecular formula C3H5N3 and a molecular weight of 84.10 g/mol. Its IUPAC name is 5-deuterio-1-methyltriazole.

Molecular Properties

Compound Name5-deuterio-1-methyltriazole
PubChem CID10844334
Molecular FormulaC3H5N3
Molecular Weight84.10 g/mol
Exact Mass84.05
IUPAC Name5-deuterio-1-methyltriazole
SMILES[2H]c1cnnn1C
InChIInChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3/i3D
InChIKeyJWAWEQBUZOGIBZ-WFVSFCRTSA-N
XLogP-0.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.10
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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fluoroform;1-methyltriazole
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1-methyl-4-(triazol-1-yl)triazole
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1-[4-(triazol-1-yl)butyl]triazole
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CID 143951776
CID 143951776
triazol-1-ylarsane
CID 173369083
1-tert-butyl-4-deuteriotriazole
CID 59693804
1,5-dimethyltetrazole;1,4-dimethyltriazole;1-methyltetrazole;1-methyltriazole
CID 165059176

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-1-methyltriazole?
The IUPAC name of 5-deuterio-1-methyltriazole (CID 10844334) is 5-deuterio-1-methyltriazole.
What is the SMILES notation for 5-deuterio-1-methyltriazole?
The canonical SMILES for 5-deuterio-1-methyltriazole is [2H]c1cnnn1C.
What is the InChIKey of 5-deuterio-1-methyltriazole?
The InChIKey is JWAWEQBUZOGIBZ-WFVSFCRTSA-N. The full InChI is InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3/i3D.
What are the key properties of 5-deuterio-1-methyltriazole?
5-deuterio-1-methyltriazole has a molecular weight of 84.10 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-1-methyltriazole is sourced from PubChem (CID 10844334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).