[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile

C6H3N5 — CID 162521908

IUPAC[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile
SMILESN#Cc1ccn2ncnc2n1
InChIInChI=1S/C6H3N5/c7-3-5-1-2-11-6(10-5)8-4-9-11/h1-2,4H
InChIKeyMGWXVPIXMXMHAH-UHFFFAOYSA-N
MW145.12 g/mol
LogP-0.00
Rot. Bonds

About [1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile

[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile (PubChem CID 162521908) has the molecular formula C6H3N5 and a molecular weight of 145.12 g/mol. Its IUPAC name is [1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile
PubChem CID162521908
Molecular FormulaC6H3N5
Molecular Weight145.12 g/mol
Exact Mass145.04
IUPAC Name[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile
SMILESN#Cc1ccn2ncnc2n1
InChIInChI=1S/C6H3N5/c7-3-5-1-2-11-6(10-5)8-4-9-11/h1-2,4H
InChIKeyMGWXVPIXMXMHAH-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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Related Compounds

ethane;imidazo[1,2-b][1,2,4]triazine-3-carbonitrile
CID 143126442
3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile
CID 130047076
2-(aminomethyl)imidazo[1,2-a]pyrimidine-7-carbonitrile
CID 55266923
5-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 67638978
5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine
CID 118335569
2-(pyrrol-1-ylamino)pyrimidine-4-carbonitrile
CID 107552061
6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile
CID 64587234
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551511
5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane
CID 90868321
8-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile
CID 134304663
6-[5-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]pyrazol-1-yl]pyridine-2-carbonitrile
CID 59646809
4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile
CID 178156438

Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile?
The IUPAC name of [1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile (CID 162521908) is [1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile.
What is the SMILES notation for [1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile?
The canonical SMILES for [1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile is N#Cc1ccn2ncnc2n1.
What is the InChIKey of [1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile?
The InChIKey is MGWXVPIXMXMHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N5/c7-3-5-1-2-11-6(10-5)8-4-9-11/h1-2,4H.
What are the key properties of [1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile?
[1,2,4]triazolo[1,5-a]pyrimidine-5-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 [1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile is sourced from PubChem (CID 162521908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).