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

C14H19N7O2 — CID 129488779

IUPAC1-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESCCOc1cncc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1
InChIInChI=1S/C14H19N7O2/c1-2-23-12-7-16-6-11(18-12)20-5-3-4-10(8-20)21-9-17-14(19-21)13(15)22/h6-7,9-10H,2-5,8H2,1H3,(H2,15,22)/t10-/m1/s1
InChIKeyNQXWEXLPOGKIAA-SNVBAGLBSA-N
MW317.35 g/mol
LogP0.41
Rot. Bonds5

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

1-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 129488779) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID129488779
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name1-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESCCOc1cncc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1
InChIInChI=1S/C14H19N7O2/c1-2-23-12-7-16-6-11(18-12)20-5-3-4-10(8-20)21-9-17-14(19-21)13(15)22/h6-7,9-10H,2-5,8H2,1H3,(H2,15,22)/t10-/m1/s1
InChIKeyNQXWEXLPOGKIAA-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

Analyze 1-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488821
cyclopropyl-[4-(6-ethoxypyrazin-2-yl)-1,4-diazepan-1-yl]methanone
CID 133499195
5-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 97119091
N-[[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]methyl]benzamide
CID 97234608
1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 127957586
2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine
CID 102960945
(3S,6R)-1-(6-ethoxypyrazin-2-yl)-6-methylpiperidine-3-carboxamide
CID 129446279
1-[1-(6-anilinopyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 167963785
1-(6-ethoxypyrazin-2-yl)imidazole-4-carboxamide
CID 175952066
2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine
CID 80674111
2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid
CID 66435962
1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490234

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide (CID 129488779) is 1-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide is CCOc1cncc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1.
What is the InChIKey of 1-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is NQXWEXLPOGKIAA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-2-23-12-7-16-6-11(18-12)20-5-3-4-10(8-20)21-9-17-14(19-21)13(15)22/h6-7,9-10H,2-5,8H2,1H3,(H2,15,22)/t10-/m1/s1.
What are the key properties of 1-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
1-[(3R)-1-(6-ethoxypyrazin-2-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-ethoxypyrazin-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 129488779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).