N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H15N5O2 — CID 5308813

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccc3c(c2)OCO3)n2nc(C)nc2n1
InChIInChI=1S/C15H15N5O2/c1-9-5-14(20-15(17-9)18-10(2)19-20)16-7-11-3-4-12-13(6-11)22-8-21-12/h3-6,16H,7-8H2,1-2H3
InChIKeyMJQRMDVYWVCFTB-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.08
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 5308813) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID5308813
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccc3c(c2)OCO3)n2nc(C)nc2n1
InChIInChI=1S/C15H15N5O2/c1-9-5-14(20-15(17-9)18-10(2)19-20)16-7-11-3-4-12-13(6-11)22-8-21-12/h3-6,16H,7-8H2,1-2H3
InChIKeyMJQRMDVYWVCFTB-UHFFFAOYSA-N
XLogP2.08
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-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 N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 5308813) is N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2ccc3c(c2)OCO3)n2nc(C)nc2n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MJQRMDVYWVCFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-9-5-14(20-15(17-9)18-10(2)19-20)16-7-11-3-4-12-13(6-11)22-8-21-12/h3-6,16H,7-8H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 297.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 5308813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).