N-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]cyclopropanamine

C12H17N5 — CID 54924590

IUPACN-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]cyclopropanamine
SMILESCc1cc(C)n2c(CCNC3CC3)nnc2n1
InChIInChI=1S/C12H17N5/c1-8-7-9(2)17-11(15-16-12(17)14-8)5-6-13-10-3-4-10/h7,10,13H,3-6H2,1-2H3
InChIKeyQPAAKAGACFDLDY-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.04
Rot. Bonds4

About N-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]cyclopropanamine

N-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]cyclopropanamine (PubChem CID 54924590) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]cyclopropanamine
PubChem CID54924590
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]cyclopropanamine
SMILESCc1cc(C)n2c(CCNC3CC3)nnc2n1
InChIInChI=1S/C12H17N5/c1-8-7-9(2)17-11(15-16-12(17)14-8)5-6-13-10-3-4-10/h7,10,13H,3-6H2,1-2H3
InChIKeyQPAAKAGACFDLDY-UHFFFAOYSA-N
XLogP1.04
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]cyclobutan-1-amine
CID 79846479
N-[3-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propyl]benzenesulfonamide
CID 42534214
N-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine
CID 96660657
2-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]isoindole-1,3-dione;hydrochloride
CID 82593518
N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 84631024
cyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine
CID 54901588
3-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]aniline
CID 65345377
N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine
CID 82491124
N-cyclohexyl-5,7-dimethyl-2-propylimidazo[1,2-a]pyrimidin-3-amine
CID 809421
N-[2-(cycloheptylamino)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 119620947
N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110504201
1-[2-(cyclohexylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 62564492

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]cyclopropanamine (CID 54924590) is N-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]cyclopropanamine is Cc1cc(C)n2c(CCNC3CC3)nnc2n1.
What is the InChIKey of N-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]cyclopropanamine?
The InChIKey is QPAAKAGACFDLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-7-9(2)17-11(15-16-12(17)14-8)5-6-13-10-3-4-10/h7,10,13H,3-6H2,1-2H3.
What are the key properties of N-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]cyclopropanamine?
N-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]cyclopropanamine has a molecular weight of 231.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 54924590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).