7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine

C8H9ClN4 — CID 16768034

IUPAC7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCc1cc(Cl)n2ncnc2n1
InChIInChI=1S/C8H9ClN4/c1-2-3-6-4-7(9)13-8(12-6)10-5-11-13/h4-5H,2-3H2,1H3
InChIKeyOCBGXKRBMFZSNK-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.73
Rot. Bonds2

About 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 16768034) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID16768034
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCc1cc(Cl)n2ncnc2n1
InChIInChI=1S/C8H9ClN4/c1-2-3-6-4-7(9)13-8(12-6)10-5-11-13/h4-5H,2-3H2,1H3
InChIKeyOCBGXKRBMFZSNK-UHFFFAOYSA-N
XLogP1.73
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]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

5,7-Dimethyl(1,2,4)triazolo(1,5-a)pyrimidine
CID 24356
4-chloro-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidine
CID 911195
7-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 520127
3,5,7-trimethyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
CID 3238460
4-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 40458683
7-Chloro-5-cyclopropyl-(1,2,4)triazolo(1,5-a)pyrimidine
CID 63358162
5-Tert-butyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 2925368
7-Chloro-5-(propan-2-yl)-(1,2,4)triazolo(1,5-a)pyrimidine
CID 16767830
7-Chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 16768222
5-Tert-butyl-7-chloro-(1,2,4)triazolo(1,5-a)pyrimidine
CID 16768271
7-Chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 16768300
7-Chloro-5-methyl-2-propyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 6625149

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 16768034) is 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCCc1cc(Cl)n2ncnc2n1.
What is the InChIKey of 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OCBGXKRBMFZSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4/c1-2-3-6-4-7(9)13-8(12-6)10-5-11-13/h4-5H,2-3H2,1H3.
What are the key properties of 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 196.64 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 16768034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).