N-benzyl-6-imidazol-1-ylpyrazin-2-amine

C14H13N5 — CID 10060708

IUPACN-benzyl-6-imidazol-1-ylpyrazin-2-amine
SMILESc1ccc(CNc2cncc(-n3ccnc3)n2)cc1
InChIInChI=1S/C14H13N5/c1-2-4-12(5-3-1)8-17-13-9-16-10-14(18-13)19-7-6-15-11-19/h1-7,9-11H,8H2,(H,17,18)
InChIKeyNRHGKCQFSSHNIO-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.27
Rot. Bonds4

About N-benzyl-6-imidazol-1-ylpyrazin-2-amine

N-benzyl-6-imidazol-1-ylpyrazin-2-amine (PubChem CID 10060708) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-benzyl-6-imidazol-1-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-benzyl-6-imidazol-1-ylpyrazin-2-amine
PubChem CID10060708
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC NameN-benzyl-6-imidazol-1-ylpyrazin-2-amine
SMILESc1ccc(CNc2cncc(-n3ccnc3)n2)cc1
InChIInChI=1S/C14H13N5/c1-2-4-12(5-3-1)8-17-13-9-16-10-14(18-13)19-7-6-15-11-19/h1-7,9-11H,8H2,(H,17,18)
InChIKeyNRHGKCQFSSHNIO-UHFFFAOYSA-N
XLogP2.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-imidazol-1-ylpyrazin-2-amine?
The IUPAC name of N-benzyl-6-imidazol-1-ylpyrazin-2-amine (CID 10060708) is N-benzyl-6-imidazol-1-ylpyrazin-2-amine.
What is the SMILES notation for N-benzyl-6-imidazol-1-ylpyrazin-2-amine?
The canonical SMILES for N-benzyl-6-imidazol-1-ylpyrazin-2-amine is c1ccc(CNc2cncc(-n3ccnc3)n2)cc1.
What is the InChIKey of N-benzyl-6-imidazol-1-ylpyrazin-2-amine?
The InChIKey is NRHGKCQFSSHNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-2-4-12(5-3-1)8-17-13-9-16-10-14(18-13)19-7-6-15-11-19/h1-7,9-11H,8H2,(H,17,18).
What are the key properties of N-benzyl-6-imidazol-1-ylpyrazin-2-amine?
N-benzyl-6-imidazol-1-ylpyrazin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-imidazol-1-ylpyrazin-2-amine is sourced from PubChem (CID 10060708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).