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

C12H17ClN6O — CID 71597141

IUPAC1-[4-[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(Cl)nc(NC3CC3)n2)CC1
InChIInChI=1S/C12H17ClN6O/c1-8(20)18-4-6-19(7-5-18)12-16-10(13)15-11(17-12)14-9-2-3-9/h9H,2-7H2,1H3,(H,14,15,16,17)
InChIKeyYNUVOOFJSVVVAF-UHFFFAOYSA-N
MW296.76 g/mol
LogP0.77
Rot. Bonds3

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

1-[4-[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone (PubChem CID 71597141) has the molecular formula C12H17ClN6O and a molecular weight of 296.76 g/mol. Its IUPAC name is 1-[4-[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
PubChem CID71597141
Molecular FormulaC12H17ClN6O
Molecular Weight296.76 g/mol
Exact Mass296.12
IUPAC Name1-[4-[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(Cl)nc(NC3CC3)n2)CC1
InChIInChI=1S/C12H17ClN6O/c1-8(20)18-4-6-19(7-5-18)12-16-10(13)15-11(17-12)14-9-2-3-9/h9H,2-7H2,1H3,(H,14,15,16,17)
InChIKeyYNUVOOFJSVVVAF-UHFFFAOYSA-N
XLogP0.77
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

4-chloro-N-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 71596833
4-chloro-N-cyclopropyl-6-(4-isopropylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 71597017
4-chloro-N-cyclopropyl-6-(4-ethylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 71597111
1-[2-[(4,6-Dichloro-1,3,5-triazin-2-yl)-propan-2-ylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 20153021
1-[2-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-methylpropyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 20225392
2,4-Dichloro-6-[1-methylpropyl[2-(3,3,5,5-tetramethyl-2-oxo-1-piperazinyl)ethyl]amino]-1,3,5-triazine
CID 53729334
1-[1-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]pentan-2-yl]-3,3,5,5-tetramethylpiperazin-2-one
CID 54272987
N-[2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 140289189
1-[4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]piperidin-1-yl]ethanone
CID 166070825
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 55124277
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 55124503
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 55124600

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone (CID 71597141) is 1-[4-[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(Cl)nc(NC3CC3)n2)CC1.
What is the InChIKey of 1-[4-[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is YNUVOOFJSVVVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6O/c1-8(20)18-4-6-19(7-5-18)12-16-10(13)15-11(17-12)14-9-2-3-9/h9H,2-7H2,1H3,(H,14,15,16,17).
What are the key properties of 1-[4-[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 296.76 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 71597141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).