N,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine

C9H12N4 — CID 5383779

IUPACN,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine
SMILESCN(C)Cc1c[nH]c2nccnc12
InChIInChI=1S/C9H12N4/c1-13(2)6-7-5-12-9-8(7)10-3-4-11-9/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyOCTNAMANGOAZGN-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.02
Rot. Bonds2

About N,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine

N,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine (PubChem CID 5383779) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is N,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine
PubChem CID5383779
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC NameN,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine
SMILESCN(C)Cc1c[nH]c2nccnc12
InChIInChI=1S/C9H12N4/c1-13(2)6-7-5-12-9-8(7)10-3-4-11-9/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyOCTNAMANGOAZGN-UHFFFAOYSA-N
XLogP1.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine (CID 5383779) is N,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine is CN(C)Cc1c[nH]c2nccnc12.
What is the InChIKey of N,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine?
The InChIKey is OCTNAMANGOAZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-13(2)6-7-5-12-9-8(7)10-3-4-11-9/h3-5H,6H2,1-2H3,(H,11,12).
What are the key properties of N,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine?
N,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine has a molecular weight of 176.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine is sourced from PubChem (CID 5383779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).