5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine

C11H16N6O — CID 70695147

IUPAC5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nc(N)c2nnn(CC3CCCCO3)c2n1
InChIInChI=1S/C11H16N6O/c1-7-13-10(12)9-11(14-7)17(16-15-9)6-8-4-2-3-5-18-8/h8H,2-6H2,1H3,(H2,12,13,14)
InChIKeyPRTSTGFHQAZRGD-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.68
Rot. Bonds2

About 5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine

5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70695147) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID70695147
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nc(N)c2nnn(CC3CCCCO3)c2n1
InChIInChI=1S/C11H16N6O/c1-7-13-10(12)9-11(14-7)17(16-15-9)6-8-4-2-3-5-18-8/h8H,2-6H2,1H3,(H2,12,13,14)
InChIKeyPRTSTGFHQAZRGD-UHFFFAOYSA-N
XLogP0.68
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]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

Related Compounds

5-cyclopropyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 70697189
[7-amino-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-5-yl]methyl acetate
CID 70686816
2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 43337004
4-[1-(oxan-2-ylmethyl)tetrazol-5-yl]aniline
CID 55014530
5-(aminomethyl)-1-(oxan-2-ylmethyl)triazole-4-carboxylic acid
CID 103121895
1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine
CID 103085687
1-(oxan-2-ylmethyl)-5-propyltriazole-4-carboxylic acid
CID 62055419
3-[[(2S)-oxolan-2-yl]methyl]-4H-triazolo[4,5-d]pyrimidine-5,7-dione
CID 137138260
3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 15160554
ethyl 5-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyrazole-3-carboxylate
CID 167774944
5-cyclopropyl-3-[[(2R)-4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 70684651
5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
CID 165471860

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine (CID 70695147) is 5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine is Cc1nc(N)c2nnn(CC3CCCCO3)c2n1.
What is the InChIKey of 5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is PRTSTGFHQAZRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7-13-10(12)9-11(14-7)17(16-15-9)6-8-4-2-3-5-18-8/h8H,2-6H2,1H3,(H2,12,13,14).
What are the key properties of 5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 248.29 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70695147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).