1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone

C12H20N6O2 — CID 80766965

IUPAC1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
SMILESCCNc1nc(OC)nc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C12H20N6O2/c1-4-13-10-14-11(16-12(15-10)20-3)18-7-5-17(6-8-18)9(2)19/h4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyILJQXPNDCKZRAA-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.02
Rot. Bonds4

About 1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone

1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone (PubChem CID 80766965) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
PubChem CID80766965
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
SMILESCCNc1nc(OC)nc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C12H20N6O2/c1-4-13-10-14-11(16-12(15-10)20-3)18-7-5-17(6-8-18)9(2)19/h4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyILJQXPNDCKZRAA-UHFFFAOYSA-N
XLogP-0.02
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80767278
1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80751565
ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate
CID 107877882
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80780634
4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione
CID 80855575
1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide
CID 80757168
N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80833952
4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methyl-1,4-diazepan-2-one
CID 102887838
1-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-1-yl]ethanone
CID 55124643
3-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid
CID 122048209
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228
4-methoxy-6-(1-oxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80804877

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone (CID 80766965) is 1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone is CCNc1nc(OC)nc(N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is ILJQXPNDCKZRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-4-13-10-14-11(16-12(15-10)20-3)18-7-5-17(6-8-18)9(2)19/h4-8H2,1-3H3,(H,13,14,15,16).
What are the key properties of 1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 280.33 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 80766965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).