N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline

C15H14N4 — CID 62761120

IUPACN-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline
SMILESc1cc(NCc2cnccn2)cc(-n2cccc2)c1
InChIInChI=1S/C15H14N4/c1-2-9-19(8-1)15-5-3-4-13(10-15)18-12-14-11-16-6-7-17-14/h1-11,18H,12H2
InChIKeyWPFUCBDKFLSHIX-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.88
Rot. Bonds4

About N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline

N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline (PubChem CID 62761120) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline
PubChem CID62761120
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC NameN-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline
SMILESc1cc(NCc2cnccn2)cc(-n2cccc2)c1
InChIInChI=1S/C15H14N4/c1-2-9-19(8-1)15-5-3-4-13(10-15)18-12-14-11-16-6-7-17-14/h1-11,18H,12H2
InChIKeyWPFUCBDKFLSHIX-UHFFFAOYSA-N
XLogP2.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline?
The IUPAC name of N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline (CID 62761120) is N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline.
What is the SMILES notation for N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline?
The canonical SMILES for N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline is c1cc(NCc2cnccn2)cc(-n2cccc2)c1.
What is the InChIKey of N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline?
The InChIKey is WPFUCBDKFLSHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-9-19(8-1)15-5-3-4-13(10-15)18-12-14-11-16-6-7-17-14/h1-11,18H,12H2.
What are the key properties of N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline?
N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline has a molecular weight of 250.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline is sourced from PubChem (CID 62761120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).