6-[(2-aminocyclopropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C8H13N5O2 — CID 43646880

IUPAC6-[(2-aminocyclopropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2CC2N)c(=O)n(C)c1=O
InChIInChI=1S/C8H13N5O2/c1-12-7(14)6(10-5-3-4(5)9)11-13(2)8(12)15/h4-5H,3,9H2,1-2H3,(H,10,11)
InChIKeyVLSDCRSGWINUAT-UHFFFAOYSA-N
MW211.22 g/mol
LogP-2.01
Rot. Bonds2

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

6-[(2-aminocyclopropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 43646880) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-[(2-aminocyclopropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-aminocyclopropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID43646880
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name6-[(2-aminocyclopropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2CC2N)c(=O)n(C)c1=O
InChIInChI=1S/C8H13N5O2/c1-12-7(14)6(10-5-3-4(5)9)11-13(2)8(12)15/h4-5H,3,9H2,1-2H3,(H,10,11)
InChIKeyVLSDCRSGWINUAT-UHFFFAOYSA-N
XLogP-2.01
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocyclopropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-aminocyclopropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 43646880) is 6-[(2-aminocyclopropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-aminocyclopropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-aminocyclopropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NC2CC2N)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(2-aminocyclopropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is VLSDCRSGWINUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-12-7(14)6(10-5-3-4(5)9)11-13(2)8(12)15/h4-5H,3,9H2,1-2H3,(H,10,11).
What are the key properties of 6-[(2-aminocyclopropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(2-aminocyclopropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 211.22 g/mol, XLogP of -2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocyclopropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43646880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).