1-[4-[4-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone

C13H22N6O — CID 141027424

IUPAC1-[4-[4-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncnc(NCC(C)C)n2)CC1
InChIInChI=1S/C13H22N6O/c1-10(2)8-14-12-15-9-16-13(17-12)19-6-4-18(5-7-19)11(3)20/h9-10H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyKEFGHKJVUFULPT-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.61
Rot. Bonds4

About 1-[4-[4-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone

1-[4-[4-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone (PubChem CID 141027424) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[4-[4-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
PubChem CID141027424
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name1-[4-[4-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncnc(NCC(C)C)n2)CC1
InChIInChI=1S/C13H22N6O/c1-10(2)8-14-12-15-9-16-13(17-12)19-6-4-18(5-7-19)11(3)20/h9-10H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyKEFGHKJVUFULPT-UHFFFAOYSA-N
XLogP0.61
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone (CID 141027424) is 1-[4-[4-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ncnc(NCC(C)C)n2)CC1.
What is the InChIKey of 1-[4-[4-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is KEFGHKJVUFULPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-10(2)8-14-12-15-9-16-13(17-12)19-6-4-18(5-7-19)11(3)20/h9-10H,4-8H2,1-3H3,(H,14,15,16,17).
What are the key properties of 1-[4-[4-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 278.36 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 141027424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).