methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate;molecular hydrogen

C14H15N5O2 — CID 159430013

IUPACmethyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate;molecular hydrogen
SMILESCOC(=O)c1cnc(N)c(-c2nc3ccc(C)cc3[nH]2)n1.[H][H]
InChIInChI=1S/C14H13N5O2.H2/c1-7-3-4-8-9(5-7)19-13(18-8)11-12(15)16-6-10(17-11)14(20)21-2;/h3-6H,1-2H3,(H2,15,16)(H,18,19);1H
InChIKeyLQWCBDVCMNHZJB-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.94
Rot. Bonds2

About methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate;molecular hydrogen

methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate;molecular hydrogen (PubChem CID 159430013) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate;molecular hydrogen.

Molecular Properties

Compound Namemethyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate;molecular hydrogen
PubChem CID159430013
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Namemethyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate;molecular hydrogen
SMILESCOC(=O)c1cnc(N)c(-c2nc3ccc(C)cc3[nH]2)n1.[H][H]
InChIInChI=1S/C14H13N5O2.H2/c1-7-3-4-8-9(5-7)19-13(18-8)11-12(15)16-6-10(17-11)14(20)21-2;/h3-6H,1-2H3,(H2,15,16)(H,18,19);1H
InChIKeyLQWCBDVCMNHZJB-UHFFFAOYSA-N
XLogP1.94
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate;molecular hydrogen?
The IUPAC name of methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate;molecular hydrogen (CID 159430013) is methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate;molecular hydrogen.
What is the SMILES notation for methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate;molecular hydrogen?
The canonical SMILES for methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate;molecular hydrogen is COC(=O)c1cnc(N)c(-c2nc3ccc(C)cc3[nH]2)n1.[H][H].
What is the InChIKey of methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate;molecular hydrogen?
The InChIKey is LQWCBDVCMNHZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2.H2/c1-7-3-4-8-9(5-7)19-13(18-8)11-12(15)16-6-10(17-11)14(20)21-2;/h3-6H,1-2H3,(H2,15,16)(H,18,19);1H.
What are the key properties of methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate;molecular hydrogen?
methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate;molecular hydrogen has a molecular weight of 285.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate;molecular hydrogen is sourced from PubChem (CID 159430013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).