5-chloro-[1,2,4]triazolo[1,5-c]pyrimidine

C5H3ClN4 — CID 12603817

IUPAC5-chloro-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESClc1nccc2ncnn12
InChIInChI=1S/C5H3ClN4/c6-5-7-2-1-4-8-3-9-10(4)5/h1-3H
InChIKeyDMBOZQIEVLAEOP-UHFFFAOYSA-N
MW154.56 g/mol
LogP0.78
Rot. Bonds

About 5-chloro-[1,2,4]triazolo[1,5-c]pyrimidine

5-chloro-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 12603817) has the molecular formula C5H3ClN4 and a molecular weight of 154.56 g/mol. Its IUPAC name is 5-chloro-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name5-chloro-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID12603817
Molecular FormulaC5H3ClN4
Molecular Weight154.56 g/mol
Exact Mass154.00
IUPAC Name5-chloro-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESClc1nccc2ncnn12
InChIInChI=1S/C5H3ClN4/c6-5-7-2-1-4-8-3-9-10(4)5/h1-3H
InChIKeyDMBOZQIEVLAEOP-UHFFFAOYSA-N
XLogP0.78
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.56
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-[1,2,4]triazolo[1,5-c]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrazolo(1,5-a)pyrimidine-3-carbonitrile
CID 819275
1,2,4-Triazolo(1,5-a)pyrimidine
CID 636456
Pyrazolo(1,5-a)pyrimidine
CID 11636795
1,2,4-Triazolo(1,5-c)pyrimidine
CID 12318765
Mls003171035
CID 335401
[1,2,4]Triazolo[1,5-a]pyrimidin-2-amine
CID 3161243
7-Aminopyrazolo(1,5-a)pyrimidine-6-carbonitrile
CID 2807616
5,7-Dichloropyrazolo[1,5-a]pyrimidine
CID 11074154
3-Bromopyrazolo(1,5-a)pyrimidine
CID 12203208
2,4-Dimethylpyrazolo[1,5-a][1,3,5]triazine
CID 13000580
Tetrazolo(1,5-a)pyrimidine
CID 349391
[1,2,4]Triazolo[1,5-a]pyrimidin-7-amine
CID 2763474

Frequently Asked Questions

What is the IUPAC name of 5-chloro-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 5-chloro-[1,2,4]triazolo[1,5-c]pyrimidine (CID 12603817) is 5-chloro-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 5-chloro-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 5-chloro-[1,2,4]triazolo[1,5-c]pyrimidine is Clc1nccc2ncnn12.
What is the InChIKey of 5-chloro-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is DMBOZQIEVLAEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4/c6-5-7-2-1-4-8-3-9-10(4)5/h1-3H.
What are the key properties of 5-chloro-[1,2,4]triazolo[1,5-c]pyrimidine?
5-chloro-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 154.56 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 12603817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).