1-(2-methoxyethyl)-N,5-dimethyl-N-pyridazin-4-yltriazole-4-carboxamide

C12H16N6O2 — CID 53379822

IUPAC1-(2-methoxyethyl)-N,5-dimethyl-N-pyridazin-4-yltriazole-4-carboxamide
SMILESCOCCn1nnc(C(=O)N(C)c2ccnnc2)c1C
InChIInChI=1S/C12H16N6O2/c1-9-11(15-16-18(9)6-7-20-3)12(19)17(2)10-4-5-13-14-8-10/h4-5,8H,6-7H2,1-3H3
InChIKeyAGXSSFZRNIEOMF-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.30
Rot. Bonds5

About 1-(2-methoxyethyl)-N,5-dimethyl-N-pyridazin-4-yltriazole-4-carboxamide

1-(2-methoxyethyl)-N,5-dimethyl-N-pyridazin-4-yltriazole-4-carboxamide (PubChem CID 53379822) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N,5-dimethyl-N-pyridazin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N,5-dimethyl-N-pyridazin-4-yltriazole-4-carboxamide
PubChem CID53379822
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name1-(2-methoxyethyl)-N,5-dimethyl-N-pyridazin-4-yltriazole-4-carboxamide
SMILESCOCCn1nnc(C(=O)N(C)c2ccnnc2)c1C
InChIInChI=1S/C12H16N6O2/c1-9-11(15-16-18(9)6-7-20-3)12(19)17(2)10-4-5-13-14-8-10/h4-5,8H,6-7H2,1-3H3
InChIKeyAGXSSFZRNIEOMF-UHFFFAOYSA-N
XLogP0.30
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N,5-dimethyl-N-pyridazin-4-yltriazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N,5-dimethyl-N-pyridazin-4-yltriazole-4-carboxamide (CID 53379822) is 1-(2-methoxyethyl)-N,5-dimethyl-N-pyridazin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N,5-dimethyl-N-pyridazin-4-yltriazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N,5-dimethyl-N-pyridazin-4-yltriazole-4-carboxamide is COCCn1nnc(C(=O)N(C)c2ccnnc2)c1C.
What is the InChIKey of 1-(2-methoxyethyl)-N,5-dimethyl-N-pyridazin-4-yltriazole-4-carboxamide?
The InChIKey is AGXSSFZRNIEOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-9-11(15-16-18(9)6-7-20-3)12(19)17(2)10-4-5-13-14-8-10/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-N,5-dimethyl-N-pyridazin-4-yltriazole-4-carboxamide?
1-(2-methoxyethyl)-N,5-dimethyl-N-pyridazin-4-yltriazole-4-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N,5-dimethyl-N-pyridazin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 53379822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).