7-chloro-6-ethyl-5-methyl-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C12H16ClN5 — CID 94672009

IUPAC7-chloro-6-ethyl-5-methyl-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2nc(N3CCCC3)nn2c1Cl
InChIInChI=1S/C12H16ClN5/c1-3-9-8(2)14-11-15-12(16-18(11)10(9)13)17-6-4-5-7-17/h3-7H2,1-2H3
InChIKeyIODRHPRJKOLJIU-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.25
Rot. Bonds2

About 7-chloro-6-ethyl-5-methyl-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

7-chloro-6-ethyl-5-methyl-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 94672009) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 7-chloro-6-ethyl-5-methyl-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-6-ethyl-5-methyl-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID94672009
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name7-chloro-6-ethyl-5-methyl-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2nc(N3CCCC3)nn2c1Cl
InChIInChI=1S/C12H16ClN5/c1-3-9-8(2)14-11-15-12(16-18(11)10(9)13)17-6-4-5-7-17/h3-7H2,1-2H3
InChIKeyIODRHPRJKOLJIU-UHFFFAOYSA-N
XLogP2.25
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-6-ethyl-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine
CID 104621702
5-ethyl-N,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190547
1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 103201100
4-chloro-5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 61268302
(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanamine;hydrochloride
CID 82021870
5-ethyl-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 879100
6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 94672049
1-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)-N-methylmethanamine
CID 62745478
7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 104621763
4-chloro-6,7-dimethyl-2-[1-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a][1,3,5]triazine
CID 118308939
1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid
CID 175654822
3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propan-1-amine
CID 55113725

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-ethyl-5-methyl-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-6-ethyl-5-methyl-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 94672009) is 7-chloro-6-ethyl-5-methyl-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-6-ethyl-5-methyl-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-6-ethyl-5-methyl-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1c(C)nc2nc(N3CCCC3)nn2c1Cl.
What is the InChIKey of 7-chloro-6-ethyl-5-methyl-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is IODRHPRJKOLJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-3-9-8(2)14-11-15-12(16-18(11)10(9)13)17-6-4-5-7-17/h3-7H2,1-2H3.
What are the key properties of 7-chloro-6-ethyl-5-methyl-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-6-ethyl-5-methyl-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 265.75 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-ethyl-5-methyl-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 94672009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).