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

C10H16N4O3 — CID 63239548

IUPAC6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(O)C2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O3/c1-13-9(16)8(12-14(2)10(13)17)11-5-7(15)6-3-4-6/h6-7,15H,3-5H2,1-2H3,(H,11,12)
InChIKeyCSILKDFNTUISRD-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.34
Rot. Bonds4

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

6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 63239548) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID63239548
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(O)C2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O3/c1-13-9(16)8(12-14(2)10(13)17)11-5-7(15)6-3-4-6/h6-7,15H,3-5H2,1-2H3,(H,11,12)
InChIKeyCSILKDFNTUISRD-UHFFFAOYSA-N
XLogP-1.34
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 63239548) is 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCC(O)C2CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is CSILKDFNTUISRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-13-9(16)8(12-14(2)10(13)17)11-5-7(15)6-3-4-6/h6-7,15H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 240.26 g/mol, XLogP of -1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63239548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).