3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride

C15H23ClN6O — CID 119510463

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C15H22N6O.ClH/c1-10-13(11(2)21-15(20-10)18-9-19-21)5-6-14(22)17-8-12-4-3-7-16-12;/h9,12,16H,3-8H2,1-2H3,(H,17,22);1H
InChIKeyGQOVWWAIMNFZDN-UHFFFAOYSA-N
MW338.84 g/mol
LogP0.96
Rot. Bonds5

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (PubChem CID 119510463) has the molecular formula C15H23ClN6O and a molecular weight of 338.84 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
PubChem CID119510463
Molecular FormulaC15H23ClN6O
Molecular Weight338.84 g/mol
Exact Mass338.16
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C15H22N6O.ClH/c1-10-13(11(2)21-15(20-10)18-9-19-21)5-6-14(22)17-8-12-4-3-7-16-12;/h9,12,16H,3-8H2,1-2H3,(H,17,22);1H
InChIKeyGQOVWWAIMNFZDN-UHFFFAOYSA-N
XLogP0.96
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 20863538
N-(2-amino-2-methylpropyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide;hydrochloride
CID 119626416
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-phenylcyclopropyl)methyl]propanamide
CID 71876730
N-[2-(4-aminophenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 119547739
N-butyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 18106246
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylpropanamide
CID 20863520
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide
CID 20863517
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 18157120
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 86930032
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513068
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide
CID 74242271

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (CID 119510463) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is Cc1nc2ncnn2c(C)c1CCC(=O)NCC1CCCN1.Cl.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is GQOVWWAIMNFZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O.ClH/c1-10-13(11(2)21-15(20-10)18-9-19-21)5-6-14(22)17-8-12-4-3-7-16-12;/h9,12,16H,3-8H2,1-2H3,(H,17,22);1H.
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119510463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).