5-(dimethylamino)-2-methyl-1,2,4-triazole-3-carbaldehyde

C6H10N4O — CID 83872747

IUPAC5-(dimethylamino)-2-methyl-1,2,4-triazole-3-carbaldehyde
SMILESCN(C)c1nc(C=O)n(C)n1
InChIInChI=1S/C6H10N4O/c1-9(2)6-7-5(4-11)10(3)8-6/h4H,1-3H3
InChIKeyUQEJEZXTGHWINP-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.31
Rot. Bonds2

About 5-(dimethylamino)-2-methyl-1,2,4-triazole-3-carbaldehyde

5-(dimethylamino)-2-methyl-1,2,4-triazole-3-carbaldehyde (PubChem CID 83872747) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-(dimethylamino)-2-methyl-1,2,4-triazole-3-carbaldehyde.

Molecular Properties

Compound Name5-(dimethylamino)-2-methyl-1,2,4-triazole-3-carbaldehyde
PubChem CID83872747
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name5-(dimethylamino)-2-methyl-1,2,4-triazole-3-carbaldehyde
SMILESCN(C)c1nc(C=O)n(C)n1
InChIInChI=1S/C6H10N4O/c1-9(2)6-7-5(4-11)10(3)8-6/h4H,1-3H3
InChIKeyUQEJEZXTGHWINP-UHFFFAOYSA-N
XLogP-0.31
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-methyl-1,2,4-triazole-3-carbaldehyde?
The IUPAC name of 5-(dimethylamino)-2-methyl-1,2,4-triazole-3-carbaldehyde (CID 83872747) is 5-(dimethylamino)-2-methyl-1,2,4-triazole-3-carbaldehyde.
What is the SMILES notation for 5-(dimethylamino)-2-methyl-1,2,4-triazole-3-carbaldehyde?
The canonical SMILES for 5-(dimethylamino)-2-methyl-1,2,4-triazole-3-carbaldehyde is CN(C)c1nc(C=O)n(C)n1.
What is the InChIKey of 5-(dimethylamino)-2-methyl-1,2,4-triazole-3-carbaldehyde?
The InChIKey is UQEJEZXTGHWINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-9(2)6-7-5(4-11)10(3)8-6/h4H,1-3H3.
What are the key properties of 5-(dimethylamino)-2-methyl-1,2,4-triazole-3-carbaldehyde?
5-(dimethylamino)-2-methyl-1,2,4-triazole-3-carbaldehyde has a molecular weight of 154.17 g/mol, XLogP of -0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-methyl-1,2,4-triazole-3-carbaldehyde is sourced from PubChem (CID 83872747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).