(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

C11H16N4O2 — CID 107375180

IUPAC(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1cnc(C(=O)N2CCCCC2CO)cn1
InChIInChI=1S/C11H16N4O2/c12-10-6-13-9(5-14-10)11(17)15-4-2-1-3-8(15)7-16/h5-6,8,16H,1-4,7H2,(H2,12,14)
InChIKeyDTCWGXRRWGRWBP-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.05
Rot. Bonds2

About (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 107375180) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID107375180
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1cnc(C(=O)N2CCCCC2CO)cn1
InChIInChI=1S/C11H16N4O2/c12-10-6-13-9(5-14-10)11(17)15-4-2-1-3-8(15)7-16/h5-6,8,16H,1-4,7H2,(H2,12,14)
InChIKeyDTCWGXRRWGRWBP-UHFFFAOYSA-N
XLogP0.05
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633795
[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone
CID 107375092
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-aminopyrazin-2-yl)methanone
CID 113381911
[2-(hydroxymethyl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 43572891
(5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028277
(2-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378063
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 79552839
(5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61039382
[2-(hydroxymethyl)piperidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104640890
(3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 105069483
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 79029003
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63024249

Frequently Asked Questions

What is the IUPAC name of (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 107375180) is (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is Nc1cnc(C(=O)N2CCCCC2CO)cn1.
What is the InChIKey of (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is DTCWGXRRWGRWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-10-6-13-9(5-14-10)11(17)15-4-2-1-3-8(15)7-16/h5-6,8,16H,1-4,7H2,(H2,12,14).
What are the key properties of (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 236.27 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107375180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).