5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine

C11H15N5 — CID 79817922

IUPAC5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cc2nnc(C3CCNC3)n2c(C)n1
InChIInChI=1S/C11H15N5/c1-7-5-10-14-15-11(9-3-4-12-6-9)16(10)8(2)13-7/h5,9,12H,3-4,6H2,1-2H3
InChIKeyDDRSLTNESJDZTC-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.82
Rot. Bonds1

About 5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine

5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 79817922) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID79817922
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cc2nnc(C3CCNC3)n2c(C)n1
InChIInChI=1S/C11H15N5/c1-7-5-10-14-15-11(9-3-4-12-6-9)16(10)8(2)13-7/h5,9,12H,3-4,6H2,1-2H3
InChIKeyDDRSLTNESJDZTC-UHFFFAOYSA-N
XLogP0.82
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexan-1-amine
CID 79817478
5,7-dimethyl-3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 79817915
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine
CID 79817912
3-methyl-4-propan-2-yl-5-pyrrolidin-3-yl-1,2,4-triazole
CID 63032885
4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917936
4-methyl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917937
2,6-dimethyl-4-piperidin-4-ylpyridine
CID 82403777
7-methyl-3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 79020647
3-methyl-5-[(3S)-pyrrolidin-3-yl]pyridine
CID 96736316
7-methyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 75357455
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
5,7-dimethyl-3-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 106743129

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 79817922) is 5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1cc2nnc(C3CCNC3)n2c(C)n1.
What is the InChIKey of 5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is DDRSLTNESJDZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-7-5-10-14-15-11(9-3-4-12-6-9)16(10)8(2)13-7/h5,9,12H,3-4,6H2,1-2H3.
What are the key properties of 5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 217.28 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 79817922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).