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

C9H11ClN4 — CID 6625149

IUPAC7-chloro-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCc1nc2nc(C)cc(Cl)n2n1
InChIInChI=1S/C9H11ClN4/c1-3-4-8-12-9-11-6(2)5-7(10)14(9)13-8/h5H,3-4H2,1-2H3
InChIKeyQVZNVMWDJSJQFB-UHFFFAOYSA-N
MW210.67 g/mol
LogP2.04
Rot. Bonds2

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

7-chloro-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 6625149) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 7-chloro-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID6625149
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name7-chloro-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCc1nc2nc(C)cc(Cl)n2n1
InChIInChI=1S/C9H11ClN4/c1-3-4-8-12-9-11-6(2)5-7(10)14(9)13-8/h5H,3-4H2,1-2H3
InChIKeyQVZNVMWDJSJQFB-UHFFFAOYSA-N
XLogP2.04
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 6625149) is 7-chloro-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCCc1nc2nc(C)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QVZNVMWDJSJQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c1-3-4-8-12-9-11-6(2)5-7(10)14(9)13-8/h5H,3-4H2,1-2H3.
What are the key properties of 7-chloro-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 210.67 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 6625149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).