3-butan-2-yl-1,2,4-triazine-6-carboxamide

C8H12N4O — CID 176985518

IUPAC3-butan-2-yl-1,2,4-triazine-6-carboxamide
SMILESCCC(C)c1ncc(C(N)=O)nn1
InChIInChI=1S/C8H12N4O/c1-3-5(2)8-10-4-6(7(9)13)11-12-8/h4-5H,3H2,1-2H3,(H2,9,13)
InChIKeyMUUNEQHKTRVZRJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.48
Rot. Bonds3

About 3-butan-2-yl-1,2,4-triazine-6-carboxamide

3-butan-2-yl-1,2,4-triazine-6-carboxamide (PubChem CID 176985518) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-butan-2-yl-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3-butan-2-yl-1,2,4-triazine-6-carboxamide
PubChem CID176985518
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-butan-2-yl-1,2,4-triazine-6-carboxamide
SMILESCCC(C)c1ncc(C(N)=O)nn1
InChIInChI=1S/C8H12N4O/c1-3-5(2)8-10-4-6(7(9)13)11-12-8/h4-5H,3H2,1-2H3,(H2,9,13)
InChIKeyMUUNEQHKTRVZRJ-UHFFFAOYSA-N
XLogP0.48
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-butan-2-yl-1,2,4-triazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3-butan-2-yl-1,2,4-triazine-6-carboxamide (CID 176985518) is 3-butan-2-yl-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3-butan-2-yl-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3-butan-2-yl-1,2,4-triazine-6-carboxamide is CCC(C)c1ncc(C(N)=O)nn1.
What is the InChIKey of 3-butan-2-yl-1,2,4-triazine-6-carboxamide?
The InChIKey is MUUNEQHKTRVZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-3-5(2)8-10-4-6(7(9)13)11-12-8/h4-5H,3H2,1-2H3,(H2,9,13).
What are the key properties of 3-butan-2-yl-1,2,4-triazine-6-carboxamide?
3-butan-2-yl-1,2,4-triazine-6-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 176985518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).