2-[1-[6-(2-hydroxyethoxy)pyrazin-2-yl]piperidin-4-yl]triazole-4-carboxylic acid

C14H18N6O4 — CID 167908488

IUPAC2-[1-[6-(2-hydroxyethoxy)pyrazin-2-yl]piperidin-4-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCN(c3cncc(OCCO)n3)CC2)n1
InChIInChI=1S/C14H18N6O4/c21-5-6-24-13-9-15-8-12(17-13)19-3-1-10(2-4-19)20-16-7-11(18-20)14(22)23/h7-10,21H,1-6H2,(H,22,23)
InChIKeyZMFQZVHFXJWKRL-UHFFFAOYSA-N
MW334.34 g/mol
LogP-0.02
Rot. Bonds6

About 2-[1-[6-(2-hydroxyethoxy)pyrazin-2-yl]piperidin-4-yl]triazole-4-carboxylic acid

2-[1-[6-(2-hydroxyethoxy)pyrazin-2-yl]piperidin-4-yl]triazole-4-carboxylic acid (PubChem CID 167908488) has the molecular formula C14H18N6O4 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[1-[6-(2-hydroxyethoxy)pyrazin-2-yl]piperidin-4-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[6-(2-hydroxyethoxy)pyrazin-2-yl]piperidin-4-yl]triazole-4-carboxylic acid
PubChem CID167908488
Molecular FormulaC14H18N6O4
Molecular Weight334.34 g/mol
Exact Mass334.14
IUPAC Name2-[1-[6-(2-hydroxyethoxy)pyrazin-2-yl]piperidin-4-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCN(c3cncc(OCCO)n3)CC2)n1
InChIInChI=1S/C14H18N6O4/c21-5-6-24-13-9-15-8-12(17-13)19-3-1-10(2-4-19)20-16-7-11(18-20)14(22)23/h7-10,21H,1-6H2,(H,22,23)
InChIKeyZMFQZVHFXJWKRL-UHFFFAOYSA-N
XLogP-0.02
TPSA126.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-[6-(2-hydroxyethoxy)pyrazin-2-yl]-3-methylpiperidin-4-ol
CID 133498606
2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol
CID 91650166
5-[4-[6-(2-hydroxyethoxy)pyrazin-2-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 166208339
2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine
CID 80674111
2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine
CID 71857386
[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone
CID 154862545
2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol
CID 97047985
cyclopropyl-[4-(6-ethoxypyrazin-2-yl)-1,4-diazepan-1-yl]methanone
CID 133499195
2-[1-(6-ethoxypyrazin-2-yl)piperidin-4-yl]oxyethanamine
CID 82693310
3-[6-[4-(4-methylphenyl)-1,4-diazepan-1-yl]pyrazin-2-yl]oxypropan-1-ol
CID 91650181
1-[1-(6-cyclohexyloxypyrazin-2-yl)piperidin-4-yl]ethane-1,2-diol
CID 167748055
1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid
CID 114278501

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(2-hydroxyethoxy)pyrazin-2-yl]piperidin-4-yl]triazole-4-carboxylic acid?
The IUPAC name of 2-[1-[6-(2-hydroxyethoxy)pyrazin-2-yl]piperidin-4-yl]triazole-4-carboxylic acid (CID 167908488) is 2-[1-[6-(2-hydroxyethoxy)pyrazin-2-yl]piperidin-4-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[6-(2-hydroxyethoxy)pyrazin-2-yl]piperidin-4-yl]triazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[6-(2-hydroxyethoxy)pyrazin-2-yl]piperidin-4-yl]triazole-4-carboxylic acid is O=C(O)c1cnn(C2CCN(c3cncc(OCCO)n3)CC2)n1.
What is the InChIKey of 2-[1-[6-(2-hydroxyethoxy)pyrazin-2-yl]piperidin-4-yl]triazole-4-carboxylic acid?
The InChIKey is ZMFQZVHFXJWKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O4/c21-5-6-24-13-9-15-8-12(17-13)19-3-1-10(2-4-19)20-16-7-11(18-20)14(22)23/h7-10,21H,1-6H2,(H,22,23).
What are the key properties of 2-[1-[6-(2-hydroxyethoxy)pyrazin-2-yl]piperidin-4-yl]triazole-4-carboxylic acid?
2-[1-[6-(2-hydroxyethoxy)pyrazin-2-yl]piperidin-4-yl]triazole-4-carboxylic acid has a molecular weight of 334.34 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(2-hydroxyethoxy)pyrazin-2-yl]piperidin-4-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 167908488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).