5,6-dimethyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide

C9H12N4O — CID 10012796

IUPAC5,6-dimethyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide
SMILESC=CCNC(=O)c1nnc(C)c(C)n1
InChIInChI=1S/C9H12N4O/c1-4-5-10-9(14)8-11-6(2)7(3)12-13-8/h4H,1,5H2,2-3H3,(H,10,14)
InChIKeySLFAVUGXAUULSY-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.40
Rot. Bonds3

About 5,6-dimethyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide

5,6-dimethyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide (PubChem CID 10012796) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 5,6-dimethyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide
PubChem CID10012796
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name5,6-dimethyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide
SMILESC=CCNC(=O)c1nnc(C)c(C)n1
InChIInChI=1S/C9H12N4O/c1-4-5-10-9(14)8-11-6(2)7(3)12-13-8/h4H,1,5H2,2-3H3,(H,10,14)
InChIKeySLFAVUGXAUULSY-UHFFFAOYSA-N
XLogP0.40
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide?
The IUPAC name of 5,6-dimethyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide (CID 10012796) is 5,6-dimethyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for 5,6-dimethyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide?
The canonical SMILES for 5,6-dimethyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide is C=CCNC(=O)c1nnc(C)c(C)n1.
What is the InChIKey of 5,6-dimethyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide?
The InChIKey is SLFAVUGXAUULSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-4-5-10-9(14)8-11-6(2)7(3)12-13-8/h4H,1,5H2,2-3H3,(H,10,14).
What are the key properties of 5,6-dimethyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide?
5,6-dimethyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 10012796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).