triazolo[1,5-a]pyrimidine-6-carbonitrile

C6H3N5 — CID 89258279

IUPACtriazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2cnnn2c1
InChIInChI=1S/C6H3N5/c7-1-5-2-8-6-3-9-10-11(6)4-5/h2-4H
InChIKeyKILQOJFOZGMZDF-UHFFFAOYSA-N
MW145.12 g/mol
LogP-0.00
Rot. Bonds

About triazolo[1,5-a]pyrimidine-6-carbonitrile

triazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 89258279) has the molecular formula C6H3N5 and a molecular weight of 145.12 g/mol. Its IUPAC name is triazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Nametriazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID89258279
Molecular FormulaC6H3N5
Molecular Weight145.12 g/mol
Exact Mass145.04
IUPAC Nametriazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2cnnn2c1
InChIInChI=1S/C6H3N5/c7-1-5-2-8-6-3-9-10-11(6)4-5/h2-4H
InChIKeyKILQOJFOZGMZDF-UHFFFAOYSA-N
XLogP-0.00
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.12
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of triazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of triazolo[1,5-a]pyrimidine-6-carbonitrile (CID 89258279) is triazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for triazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for triazolo[1,5-a]pyrimidine-6-carbonitrile is N#Cc1cnc2cnnn2c1.
What is the InChIKey of triazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is KILQOJFOZGMZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N5/c7-1-5-2-8-6-3-9-10-11(6)4-5/h2-4H.
What are the key properties of triazolo[1,5-a]pyrimidine-6-carbonitrile?
triazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 145.12 g/mol, XLogP of -0.00, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 89258279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).