4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen

C16H21N7O — CID 161154968

IUPAC4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen
SMILESCc1ccc2nc(-c3nc(N4CCNC(=O)C4)cnc3N)[nH]c2c1.[H][H].[H][H]
InChIInChI=1S/C16H17N7O.2H2/c1-9-2-3-10-11(6-9)21-16(20-10)14-15(17)19-7-12(22-14)23-5-4-18-13(24)8-23;;/h2-3,6-7H,4-5,8H2,1H3,(H2,17,19)(H,18,24)(H,20,21);2*1H
InChIKeyUPEGSHBDYNMOHX-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.34
Rot. Bonds2

About 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen

4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen (PubChem CID 161154968) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen.

Molecular Properties

Compound Name4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen
PubChem CID161154968
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen
SMILESCc1ccc2nc(-c3nc(N4CCNC(=O)C4)cnc3N)[nH]c2c1.[H][H].[H][H]
InChIInChI=1S/C16H17N7O.2H2/c1-9-2-3-10-11(6-9)21-16(20-10)14-15(17)19-7-12(22-14)23-5-4-18-13(24)8-23;;/h2-3,6-7H,4-5,8H2,1H3,(H2,17,19)(H,18,24)(H,20,21);2*1H
InChIKeyUPEGSHBDYNMOHX-UHFFFAOYSA-N
XLogP1.34
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen?
The IUPAC name of 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen (CID 161154968) is 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen.
What is the SMILES notation for 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen?
The canonical SMILES for 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen is Cc1ccc2nc(-c3nc(N4CCNC(=O)C4)cnc3N)[nH]c2c1.[H][H].[H][H].
What is the InChIKey of 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen?
The InChIKey is UPEGSHBDYNMOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O.2H2/c1-9-2-3-10-11(6-9)21-16(20-10)14-15(17)19-7-12(22-14)23-5-4-18-13(24)8-23;;/h2-3,6-7H,4-5,8H2,1H3,(H2,17,19)(H,18,24)(H,20,21);2*1H.
What are the key properties of 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen?
4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen has a molecular weight of 327.39 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen is sourced from PubChem (CID 161154968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).