7-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-c]pyrimidine

C9H9ClN4 — CID 43144439

IUPAC7-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCC1CC1c1nnc2cc(Cl)ncn12
InChIInChI=1S/C9H9ClN4/c1-5-2-6(5)9-13-12-8-3-7(10)11-4-14(8)9/h3-6H,2H2,1H3
InChIKeyXAFMYTSITSJZNB-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.90
Rot. Bonds1

About 7-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 43144439) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 7-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID43144439
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name7-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCC1CC1c1nnc2cc(Cl)ncn12
InChIInChI=1S/C9H9ClN4/c1-5-2-6(5)9-13-12-8-3-7(10)11-4-14(8)9/h3-6H,2H2,1H3
InChIKeyXAFMYTSITSJZNB-UHFFFAOYSA-N
XLogP1.90
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bicyclo[2.2.1]heptanyl)-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 61366140
7-chloro-3-(5-methyloxolan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 81330166
3-(4-tert-butylcyclohexyl)-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 62719247
7-chloro-3-(thian-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 80595145
7-chloro-3-(3,4-dihydro-2H-chromen-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 63708498
7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327083
7-chloro-3-(3-methylbutyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144417
7-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43248580
7-chloro-3-(2,4-difluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 113396511
7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 103020834
7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 81122277
7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144489

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 43144439) is 7-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-c]pyrimidine is CC1CC1c1nnc2cc(Cl)ncn12.
What is the InChIKey of 7-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is XAFMYTSITSJZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-5-2-6(5)9-13-12-8-3-7(10)11-4-14(8)9/h3-6H,2H2,1H3.
What are the key properties of 7-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 208.65 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 43144439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).