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

C12H21N5O2 — CID 64929653

IUPAC6-[(2-aminocyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2CCCCC2N)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N5O2/c1-16-11(18)10(15-17(2)12(16)19)14-7-8-5-3-4-6-9(8)13/h8-9H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyAQYSUVJTRZWYIC-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.59
Rot. Bonds3

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

6-[(2-aminocyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 64929653) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[(2-aminocyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-aminocyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID64929653
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name6-[(2-aminocyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2CCCCC2N)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N5O2/c1-16-11(18)10(15-17(2)12(16)19)14-7-8-5-3-4-6-9(8)13/h8-9H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyAQYSUVJTRZWYIC-UHFFFAOYSA-N
XLogP-0.59
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-aminocyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 64929653) is 6-[(2-aminocyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-aminocyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-aminocyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCC2CCCCC2N)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(2-aminocyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is AQYSUVJTRZWYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-16-11(18)10(15-17(2)12(16)19)14-7-8-5-3-4-6-9(8)13/h8-9H,3-7,13H2,1-2H3,(H,14,15).
What are the key properties of 6-[(2-aminocyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(2-aminocyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 267.33 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 64929653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).