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

C13H23N5O2 — CID 60869872

IUPAC6-[3-aminopropyl(cyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N(CCCN)C2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H23N5O2/c1-16-12(19)11(15-17(2)13(16)20)18(9-5-8-14)10-6-3-4-7-10/h10H,3-9,14H2,1-2H3
InChIKeyQIBIKJOQLYIRTH-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.42
Rot. Bonds5

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

6-[3-aminopropyl(cyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 60869872) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-[3-aminopropyl(cyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[3-aminopropyl(cyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID60869872
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name6-[3-aminopropyl(cyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N(CCCN)C2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H23N5O2/c1-16-12(19)11(15-17(2)13(16)20)18(9-5-8-14)10-6-3-4-7-10/h10H,3-9,14H2,1-2H3
InChIKeyQIBIKJOQLYIRTH-UHFFFAOYSA-N
XLogP-0.42
TPSA86.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-aminopropyl(cyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[3-aminopropyl(cyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 60869872) is 6-[3-aminopropyl(cyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[3-aminopropyl(cyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[3-aminopropyl(cyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(N(CCCN)C2CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[3-aminopropyl(cyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is QIBIKJOQLYIRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-16-12(19)11(15-17(2)13(16)20)18(9-5-8-14)10-6-3-4-7-10/h10H,3-9,14H2,1-2H3.
What are the key properties of 6-[3-aminopropyl(cyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[3-aminopropyl(cyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 281.36 g/mol, XLogP of -0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-aminopropyl(cyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60869872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).