6-(1-cyclohexylpropylamino)-2H-1,2,4-triazine-3,5-dione

C12H20N4O2 — CID 55069698

IUPAC6-(1-cyclohexylpropylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCCC(Nc1n[nH]c(=O)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C12H20N4O2/c1-2-9(8-6-4-3-5-7-8)13-10-11(17)14-12(18)16-15-10/h8-9H,2-7H2,1H3,(H,13,15)(H2,14,16,17,18)
InChIKeyANAUVCHTCUCBEL-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.23
Rot. Bonds4

About 6-(1-cyclohexylpropylamino)-2H-1,2,4-triazine-3,5-dione

6-(1-cyclohexylpropylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 55069698) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-(1-cyclohexylpropylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(1-cyclohexylpropylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID55069698
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-(1-cyclohexylpropylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCCC(Nc1n[nH]c(=O)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C12H20N4O2/c1-2-9(8-6-4-3-5-7-8)13-10-11(17)14-12(18)16-15-10/h8-9H,2-7H2,1H3,(H,13,15)(H2,14,16,17,18)
InChIKeyANAUVCHTCUCBEL-UHFFFAOYSA-N
XLogP1.23
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclohexylpropylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(1-cyclohexylpropylamino)-2H-1,2,4-triazine-3,5-dione (CID 55069698) is 6-(1-cyclohexylpropylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(1-cyclohexylpropylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(1-cyclohexylpropylamino)-2H-1,2,4-triazine-3,5-dione is CCC(Nc1n[nH]c(=O)[nH]c1=O)C1CCCCC1.
What is the InChIKey of 6-(1-cyclohexylpropylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is ANAUVCHTCUCBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-9(8-6-4-3-5-7-8)13-10-11(17)14-12(18)16-15-10/h8-9H,2-7H2,1H3,(H,13,15)(H2,14,16,17,18).
What are the key properties of 6-(1-cyclohexylpropylamino)-2H-1,2,4-triazine-3,5-dione?
6-(1-cyclohexylpropylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 252.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclohexylpropylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 55069698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).