1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide

C14H19N7O2 — CID 129488821

IUPAC1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESCCOc1cc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)ncn1
InChIInChI=1S/C14H19N7O2/c1-2-23-12-6-11(16-8-17-12)20-5-3-4-10(7-20)21-9-18-14(19-21)13(15)22/h6,8-10H,2-5,7H2,1H3,(H2,15,22)/t10-/m1/s1
InChIKeyQYKGHNXRCUONRC-SNVBAGLBSA-N
MW317.35 g/mol
LogP0.41
Rot. Bonds5

About 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide

1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 129488821) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID129488821
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESCCOc1cc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)ncn1
InChIInChI=1S/C14H19N7O2/c1-2-23-12-6-11(16-8-17-12)20-5-3-4-10(7-20)21-9-18-14(19-21)13(15)22/h6,8-10H,2-5,7H2,1H3,(H2,15,22)/t10-/m1/s1
InChIKeyQYKGHNXRCUONRC-SNVBAGLBSA-N
XLogP0.41
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488779
1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 129473969
1-[1-(6-anilinopyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 167963785
1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 86795906
2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 53185796
1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 86797858
cyclopropyl-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133498837
N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide
CID 99614878
3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 133490367
(3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide
CID 95125854
ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate
CID 66332836
tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 133492699

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide (CID 129488821) is 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide is CCOc1cc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)ncn1.
What is the InChIKey of 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is QYKGHNXRCUONRC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-2-23-12-6-11(16-8-17-12)20-5-3-4-10(7-20)21-9-18-14(19-21)13(15)22/h6,8-10H,2-5,7H2,1H3,(H2,15,22)/t10-/m1/s1.
What are the key properties of 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 129488821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).