2,4-dimethyl-6-[(1-propylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione

C12H20N4O2 — CID 103761693

IUPAC2,4-dimethyl-6-[(1-propylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione
SMILESCCCC1(CNc2nn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C12H20N4O2/c1-4-5-12(6-7-12)8-13-9-10(17)15(2)11(18)16(3)14-9/h4-8H2,1-3H3,(H,13,14)
InChIKeyZDQBYRMJYBHMRV-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.47
Rot. Bonds5

About 2,4-dimethyl-6-[(1-propylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-[(1-propylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione (PubChem CID 103761693) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(1-propylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[(1-propylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione
PubChem CID103761693
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2,4-dimethyl-6-[(1-propylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione
SMILESCCCC1(CNc2nn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C12H20N4O2/c1-4-5-12(6-7-12)8-13-9-10(17)15(2)11(18)16(3)14-9/h4-8H2,1-3H3,(H,13,14)
InChIKeyZDQBYRMJYBHMRV-UHFFFAOYSA-N
XLogP0.47
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[(1-propylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[(1-propylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione (CID 103761693) is 2,4-dimethyl-6-[(1-propylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[(1-propylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[(1-propylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione is CCCC1(CNc2nn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of 2,4-dimethyl-6-[(1-propylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione?
The InChIKey is ZDQBYRMJYBHMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-5-12(6-7-12)8-13-9-10(17)15(2)11(18)16(3)14-9/h4-8H2,1-3H3,(H,13,14).
What are the key properties of 2,4-dimethyl-6-[(1-propylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[(1-propylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione has a molecular weight of 252.32 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(1-propylcyclopropyl)methylamino]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103761693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).