4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile

C10H13N5O — CID 729323

IUPAC4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
SMILESCOc1nc(C#N)nc(N2CCCCC2)n1
InChIInChI=1S/C10H13N5O/c1-16-10-13-8(7-11)12-9(14-10)15-5-3-2-4-6-15/h2-6H2,1H3
InChIKeySNCYBRIUESGDBT-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.74
Rot. Bonds2

About 4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile

4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile (PubChem CID 729323) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
PubChem CID729323
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
SMILESCOc1nc(C#N)nc(N2CCCCC2)n1
InChIInChI=1S/C10H13N5O/c1-16-10-13-8(7-11)12-9(14-10)15-5-3-2-4-6-15/h2-6H2,1H3
InChIKeySNCYBRIUESGDBT-UHFFFAOYSA-N
XLogP0.74
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
CID 729558
4-(Diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
CID 672105
4,6-Di(piperidin-1-yl)-1,3,5-triazine-2-carbonitrile
CID 623303
6-(Ethylamino)-4-piperidyl-1,3,5-triazine-2-carbonitrile
CID 672104
4-Methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazine-2-carbonitrile
CID 714436
1,3,5-Triazin-2-amine, 4-methyl-6-(1-piperidinyl)-
CID 207476
4-Amino-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
CID 5302615
2-Fluoro-4-methyl-6-piperidin-1-yl-1,3,5-triazine
CID 53827759
2-Amino-4-cyanomethyl-6-piperidino-1,3,5-triazine
CID 612767
2-Methoxy-4-methyl-6-(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazine
CID 58220543
2-Chloro-4-methyl-6-(1-piperidinyl)-1,3,5-triazine
CID 65646309
4-Piperidin-1-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile
CID 69726144

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile (CID 729323) is 4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile is COc1nc(C#N)nc(N2CCCCC2)n1.
What is the InChIKey of 4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile?
The InChIKey is SNCYBRIUESGDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-16-10-13-8(7-11)12-9(14-10)15-5-3-2-4-6-15/h2-6H2,1H3.
What are the key properties of 4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile?
4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile has a molecular weight of 219.25 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 729323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).