2-[bis(1H-pyrrol-2-yl)methyl]-3-methylpyrazine

C14H14N4 — CID 171372009

IUPAC2-[bis(1H-pyrrol-2-yl)methyl]-3-methylpyrazine
SMILESCc1nccnc1C(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C14H14N4/c1-10-14(18-9-8-15-10)13(11-4-2-6-16-11)12-5-3-7-17-12/h2-9,13,16-17H,1H3
InChIKeyQDGKRTUJTKLCIP-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.62
Rot. Bonds3

About 2-[bis(1H-pyrrol-2-yl)methyl]-3-methylpyrazine

2-[bis(1H-pyrrol-2-yl)methyl]-3-methylpyrazine (PubChem CID 171372009) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[bis(1H-pyrrol-2-yl)methyl]-3-methylpyrazine.

Molecular Properties

Compound Name2-[bis(1H-pyrrol-2-yl)methyl]-3-methylpyrazine
PubChem CID171372009
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-[bis(1H-pyrrol-2-yl)methyl]-3-methylpyrazine
SMILESCc1nccnc1C(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C14H14N4/c1-10-14(18-9-8-15-10)13(11-4-2-6-16-11)12-5-3-7-17-12/h2-9,13,16-17H,1H3
InChIKeyQDGKRTUJTKLCIP-UHFFFAOYSA-N
XLogP2.62
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(1H-pyrrol-2-yl)methyl]-3-methylpyrazine?
The IUPAC name of 2-[bis(1H-pyrrol-2-yl)methyl]-3-methylpyrazine (CID 171372009) is 2-[bis(1H-pyrrol-2-yl)methyl]-3-methylpyrazine.
What is the SMILES notation for 2-[bis(1H-pyrrol-2-yl)methyl]-3-methylpyrazine?
The canonical SMILES for 2-[bis(1H-pyrrol-2-yl)methyl]-3-methylpyrazine is Cc1nccnc1C(c1ccc[nH]1)c1ccc[nH]1.
What is the InChIKey of 2-[bis(1H-pyrrol-2-yl)methyl]-3-methylpyrazine?
The InChIKey is QDGKRTUJTKLCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-14(18-9-8-15-10)13(11-4-2-6-16-11)12-5-3-7-17-12/h2-9,13,16-17H,1H3.
What are the key properties of 2-[bis(1H-pyrrol-2-yl)methyl]-3-methylpyrazine?
2-[bis(1H-pyrrol-2-yl)methyl]-3-methylpyrazine has a molecular weight of 238.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(1H-pyrrol-2-yl)methyl]-3-methylpyrazine is sourced from PubChem (CID 171372009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).