6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C16H23N5O3 — CID 41102735

IUPAC6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC[C@H](c2ccco2)N2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C16H23N5O3/c1-19-15(22)14(18-20(2)16(19)23)17-11-12(13-7-6-10-24-13)21-8-4-3-5-9-21/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyFBANWTCBHHUEDV-GFCCVEGCSA-N
MW333.39 g/mol
LogP0.71
Rot. Bonds5

About 6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 41102735) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID41102735
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC[C@H](c2ccco2)N2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C16H23N5O3/c1-19-15(22)14(18-20(2)16(19)23)17-11-12(13-7-6-10-24-13)21-8-4-3-5-9-21/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyFBANWTCBHHUEDV-GFCCVEGCSA-N
XLogP0.71
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 94519626
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51162639
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one
CID 9195368
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 25495476
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 63789729
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191352
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892301
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892299

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 41102735) is 6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NC[C@H](c2ccco2)N2CCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is FBANWTCBHHUEDV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-19-15(22)14(18-20(2)16(19)23)17-11-12(13-7-6-10-24-13)21-8-4-3-5-9-21/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 333.39 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 41102735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).