5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C9H6Cl2N6 — CID 103077017

IUPAC5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1-n1cc(Cl)cn1
InChIInChI=1S/C9H6Cl2N6/c1-5-7(11)15-9-12-4-14-17(9)8(5)16-3-6(10)2-13-16/h2-4H,1H3
InChIKeyRGHFGBLFSNOQQA-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.93
Rot. Bonds1

About 5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 103077017) has the molecular formula C9H6Cl2N6 and a molecular weight of 269.10 g/mol. Its IUPAC name is 5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID103077017
Molecular FormulaC9H6Cl2N6
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1-n1cc(Cl)cn1
InChIInChI=1S/C9H6Cl2N6/c1-5-7(11)15-9-12-4-14-17(9)8(5)16-3-6(10)2-13-16/h2-4H,1H3
InChIKeyRGHFGBLFSNOQQA-UHFFFAOYSA-N
XLogP1.93
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-6-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076148
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 103076139
5-chloro-7-[(5-chloro-3-pyridinyl)oxy]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075998
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazepane
CID 103076328
1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 103076133
5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076979
5-chloro-6-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076644
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,3-trimethylpiperazin-2-one
CID 103076796
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine
CID 103076332
5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076140
5-chloro-7-ethylsulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103077048
5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075883

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 103077017) is 5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1c(Cl)nc2ncnn2c1-n1cc(Cl)cn1.
What is the InChIKey of 5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RGHFGBLFSNOQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N6/c1-5-7(11)15-9-12-4-14-17(9)8(5)16-3-6(10)2-13-16/h2-4H,1H3.
What are the key properties of 5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 269.10 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 103077017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).