[3-(hydroxymethyl)pyrazino[1,2-a]benzimidazol-1-yl] carbamate

C12H10N4O3 — CID 175789099

IUPAC[3-(hydroxymethyl)pyrazino[1,2-a]benzimidazol-1-yl] carbamate
SMILESNC(=O)Oc1nc(CO)cn2c1nc1ccccc12
InChIInChI=1S/C12H10N4O3/c13-12(18)19-11-10-15-8-3-1-2-4-9(8)16(10)5-7(6-17)14-11/h1-5,17H,6H2,(H2,13,18)
InChIKeyZXZCIZWOODQJNL-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.83
Rot. Bonds2

About [3-(hydroxymethyl)pyrazino[1,2-a]benzimidazol-1-yl] carbamate

[3-(hydroxymethyl)pyrazino[1,2-a]benzimidazol-1-yl] carbamate (PubChem CID 175789099) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is [3-(hydroxymethyl)pyrazino[1,2-a]benzimidazol-1-yl] carbamate.

Molecular Properties

Compound Name[3-(hydroxymethyl)pyrazino[1,2-a]benzimidazol-1-yl] carbamate
PubChem CID175789099
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name[3-(hydroxymethyl)pyrazino[1,2-a]benzimidazol-1-yl] carbamate
SMILESNC(=O)Oc1nc(CO)cn2c1nc1ccccc12
InChIInChI=1S/C12H10N4O3/c13-12(18)19-11-10-15-8-3-1-2-4-9(8)16(10)5-7(6-17)14-11/h1-5,17H,6H2,(H2,13,18)
InChIKeyZXZCIZWOODQJNL-UHFFFAOYSA-N
XLogP0.83
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzylpyrazino[1,2-a]benzimidazol-1-amine
CID 164617261
1-amino-N-(3-methoxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 170023223
3H-imidazo[1,2-a]benzimidazol-2-ylmethanol
CID 84660991
2-methylpropyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]propanoate
CID 82161922
(4-aminoimidazo[1,2-a]quinoxalin-2-yl)-phenylmethanol
CID 52938093
2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole
CID 90086769
ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate
CID 53125790
4-methoxy-2-(4-methoxyphenyl)imidazo[1,2-a]quinoxaline
CID 67547841
3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaene
CID 154123002
4-methoxy-2-(2-methoxyphenyl)imidazo[1,2-a]quinoxaline
CID 67546535
N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide
CID 13385787
N,N-dimethyl-2-(2-phenylethyl)imidazo[1,2-a]quinoxalin-4-amine
CID 25254339

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)pyrazino[1,2-a]benzimidazol-1-yl] carbamate?
The IUPAC name of [3-(hydroxymethyl)pyrazino[1,2-a]benzimidazol-1-yl] carbamate (CID 175789099) is [3-(hydroxymethyl)pyrazino[1,2-a]benzimidazol-1-yl] carbamate.
What is the SMILES notation for [3-(hydroxymethyl)pyrazino[1,2-a]benzimidazol-1-yl] carbamate?
The canonical SMILES for [3-(hydroxymethyl)pyrazino[1,2-a]benzimidazol-1-yl] carbamate is NC(=O)Oc1nc(CO)cn2c1nc1ccccc12.
What is the InChIKey of [3-(hydroxymethyl)pyrazino[1,2-a]benzimidazol-1-yl] carbamate?
The InChIKey is ZXZCIZWOODQJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c13-12(18)19-11-10-15-8-3-1-2-4-9(8)16(10)5-7(6-17)14-11/h1-5,17H,6H2,(H2,13,18).
What are the key properties of [3-(hydroxymethyl)pyrazino[1,2-a]benzimidazol-1-yl] carbamate?
[3-(hydroxymethyl)pyrazino[1,2-a]benzimidazol-1-yl] carbamate has a molecular weight of 258.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)pyrazino[1,2-a]benzimidazol-1-yl] carbamate is sourced from PubChem (CID 175789099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).