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

C12H21N5O2 — CID 63258673

IUPAC6-[(2-aminocycloheptyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2CCCCCC2N)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N5O2/c1-16-11(18)10(15-17(2)12(16)19)14-9-7-5-3-4-6-8(9)13/h8-9H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyRKUZYIZMMKURRS-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.45
Rot. Bonds2

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

6-[(2-aminocycloheptyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 63258673) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[(2-aminocycloheptyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-aminocycloheptyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID63258673
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name6-[(2-aminocycloheptyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2CCCCCC2N)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N5O2/c1-16-11(18)10(15-17(2)12(16)19)14-9-7-5-3-4-6-8(9)13/h8-9H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyRKUZYIZMMKURRS-UHFFFAOYSA-N
XLogP-0.45
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocycloheptyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-aminocycloheptyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 63258673) is 6-[(2-aminocycloheptyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-aminocycloheptyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-aminocycloheptyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NC2CCCCCC2N)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(2-aminocycloheptyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is RKUZYIZMMKURRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-16-11(18)10(15-17(2)12(16)19)14-9-7-5-3-4-6-8(9)13/h8-9H,3-7,13H2,1-2H3,(H,14,15).
What are the key properties of 6-[(2-aminocycloheptyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(2-aminocycloheptyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 267.33 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocycloheptyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63258673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).