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

C11H20N4O2 — CID 54955074

IUPAC6-(6-methylheptan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)CCCC(C)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O2/c1-7(2)5-4-6-8(3)12-9-10(16)13-11(17)15-14-9/h7-8H,4-6H2,1-3H3,(H,12,14)(H2,13,15,16,17)
InChIKeyHYWHHWLAOSKCDK-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.08
Rot. Bonds6

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

6-(6-methylheptan-2-ylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 54955074) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-(6-methylheptan-2-ylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(6-methylheptan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID54955074
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name6-(6-methylheptan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)CCCC(C)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O2/c1-7(2)5-4-6-8(3)12-9-10(16)13-11(17)15-14-9/h7-8H,4-6H2,1-3H3,(H,12,14)(H2,13,15,16,17)
InChIKeyHYWHHWLAOSKCDK-UHFFFAOYSA-N
XLogP1.08
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methylheptan-2-ylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(6-methylheptan-2-ylamino)-2H-1,2,4-triazine-3,5-dione (CID 54955074) is 6-(6-methylheptan-2-ylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(6-methylheptan-2-ylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(6-methylheptan-2-ylamino)-2H-1,2,4-triazine-3,5-dione is CC(C)CCCC(C)Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(6-methylheptan-2-ylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is HYWHHWLAOSKCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7(2)5-4-6-8(3)12-9-10(16)13-11(17)15-14-9/h7-8H,4-6H2,1-3H3,(H,12,14)(H2,13,15,16,17).
What are the key properties of 6-(6-methylheptan-2-ylamino)-2H-1,2,4-triazine-3,5-dione?
6-(6-methylheptan-2-ylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 240.31 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methylheptan-2-ylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 54955074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).