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

C14H25N5O2 — CID 79117677

IUPAC6-[(4-aminocyclohexyl)-propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCCN(c1nn(C)c(=O)n(C)c1=O)C1CCC(N)CC1
InChIInChI=1S/C14H25N5O2/c1-4-9-19(11-7-5-10(15)6-8-11)12-13(20)17(2)14(21)18(3)16-12/h10-11H,4-9,15H2,1-3H3
InChIKeyJWFBCDUYOBUXIL-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.03
Rot. Bonds4

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

6-[(4-aminocyclohexyl)-propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 79117677) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-[(4-aminocyclohexyl)-propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(4-aminocyclohexyl)-propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID79117677
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name6-[(4-aminocyclohexyl)-propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCCN(c1nn(C)c(=O)n(C)c1=O)C1CCC(N)CC1
InChIInChI=1S/C14H25N5O2/c1-4-9-19(11-7-5-10(15)6-8-11)12-13(20)17(2)14(21)18(3)16-12/h10-11H,4-9,15H2,1-3H3
InChIKeyJWFBCDUYOBUXIL-UHFFFAOYSA-N
XLogP-0.03
TPSA86.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminocyclohexyl)-propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(4-aminocyclohexyl)-propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 79117677) is 6-[(4-aminocyclohexyl)-propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(4-aminocyclohexyl)-propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(4-aminocyclohexyl)-propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCCN(c1nn(C)c(=O)n(C)c1=O)C1CCC(N)CC1.
What is the InChIKey of 6-[(4-aminocyclohexyl)-propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is JWFBCDUYOBUXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-4-9-19(11-7-5-10(15)6-8-11)12-13(20)17(2)14(21)18(3)16-12/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 6-[(4-aminocyclohexyl)-propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(4-aminocyclohexyl)-propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 295.39 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminocyclohexyl)-propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 79117677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).