5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H18N6 — CID 104973121

IUPAC5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC[C@H]2CCCN2)n2ncnc2n1
InChIInChI=1S/C12H18N6/c1-9-7-11(18-12(17-9)15-8-16-18)14-6-4-10-3-2-5-13-10/h7-8,10,13-14H,2-6H2,1H3/t10-/m1/s1
InChIKeyQFSYXRBDEOGNDP-SNVBAGLBSA-N
MW246.32 g/mol
LogP0.99
Rot. Bonds4

About 5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 104973121) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID104973121
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC[C@H]2CCCN2)n2ncnc2n1
InChIInChI=1S/C12H18N6/c1-9-7-11(18-12(17-9)15-8-16-18)14-6-4-10-3-2-5-13-10/h7-8,10,13-14H,2-6H2,1H3/t10-/m1/s1
InChIKeyQFSYXRBDEOGNDP-SNVBAGLBSA-N
XLogP0.99
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364
5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63226890
5-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79040439
1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 115702113
5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79003007
5-methyl-N-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106995974
5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 43816834
N-[(2,2-difluorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 146130247
3,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973149
N-(2-cyclopropylethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324314
N-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106128208
5-methyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95314538

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 104973121) is 5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCC[C@H]2CCCN2)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QFSYXRBDEOGNDP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N6/c1-9-7-11(18-12(17-9)15-8-16-18)14-6-4-10-3-2-5-13-10/h7-8,10,13-14H,2-6H2,1H3/t10-/m1/s1.
What are the key properties of 5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 246.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 104973121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).