pyrrolo[1,2-c]pyrimidine-1-carbonitrile

C8H5N3 — CID 151799232

IUPACpyrrolo[1,2-c]pyrimidine-1-carbonitrile
SMILESN#Cc1nccc2cccn12
InChIInChI=1S/C8H5N3/c9-6-8-10-4-3-7-2-1-5-11(7)8/h1-5H
InChIKeyRYGIXKQRGZTMJH-UHFFFAOYSA-N
MW143.15 g/mol
LogP1.21
Rot. Bonds

About pyrrolo[1,2-c]pyrimidine-1-carbonitrile

pyrrolo[1,2-c]pyrimidine-1-carbonitrile (PubChem CID 151799232) has the molecular formula C8H5N3 and a molecular weight of 143.15 g/mol. Its IUPAC name is pyrrolo[1,2-c]pyrimidine-1-carbonitrile.

Molecular Properties

Compound Namepyrrolo[1,2-c]pyrimidine-1-carbonitrile
PubChem CID151799232
Molecular FormulaC8H5N3
Molecular Weight143.15 g/mol
Exact Mass143.05
IUPAC Namepyrrolo[1,2-c]pyrimidine-1-carbonitrile
SMILESN#Cc1nccc2cccn12
InChIInChI=1S/C8H5N3/c9-6-8-10-4-3-7-2-1-5-11(7)8/h1-5H
InChIKeyRYGIXKQRGZTMJH-UHFFFAOYSA-N
XLogP1.21
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[1,2-c]pyrimidine-1-carbonitrile?
The IUPAC name of pyrrolo[1,2-c]pyrimidine-1-carbonitrile (CID 151799232) is pyrrolo[1,2-c]pyrimidine-1-carbonitrile.
What is the SMILES notation for pyrrolo[1,2-c]pyrimidine-1-carbonitrile?
The canonical SMILES for pyrrolo[1,2-c]pyrimidine-1-carbonitrile is N#Cc1nccc2cccn12.
What is the InChIKey of pyrrolo[1,2-c]pyrimidine-1-carbonitrile?
The InChIKey is RYGIXKQRGZTMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3/c9-6-8-10-4-3-7-2-1-5-11(7)8/h1-5H.
What are the key properties of pyrrolo[1,2-c]pyrimidine-1-carbonitrile?
pyrrolo[1,2-c]pyrimidine-1-carbonitrile has a molecular weight of 143.15 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[1,2-c]pyrimidine-1-carbonitrile is sourced from PubChem (CID 151799232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).