1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-methylpropan-1-amine

C11H17N5 — CID 79818147

IUPAC1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1nnc2cc(C)nc(C)n12
InChIInChI=1S/C11H17N5/c1-5-9(12-4)11-15-14-10-6-7(2)13-8(3)16(10)11/h6,9,12H,5H2,1-4H3
InChIKeySNDFLIHGRZUDIW-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.41
Rot. Bonds3

About 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-methylpropan-1-amine

1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-methylpropan-1-amine (PubChem CID 79818147) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-methylpropan-1-amine
PubChem CID79818147
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1nnc2cc(C)nc(C)n12
InChIInChI=1S/C11H17N5/c1-5-9(12-4)11-15-14-10-6-7(2)13-8(3)16(10)11/h6,9,12H,5H2,1-4H3
InChIKeySNDFLIHGRZUDIW-UHFFFAOYSA-N
XLogP1.41
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-methylpropan-1-amine (CID 79818147) is 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-methylpropan-1-amine is CCC(NC)c1nnc2cc(C)nc(C)n12.
What is the InChIKey of 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-methylpropan-1-amine?
The InChIKey is SNDFLIHGRZUDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-5-9(12-4)11-15-14-10-6-7(2)13-8(3)16(10)11/h6,9,12H,5H2,1-4H3.
What are the key properties of 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-methylpropan-1-amine?
1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-methylpropan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 79818147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).