(2S)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol

C12H16N8O — CID 46912312

IUPAC(2S)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol
SMILESC[C@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
InChIInChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)/t7-/m0/s1
InChIKeyHMSFWLUZEDMXMM-ZETCQYMHSA-N
MW288.31 g/mol
LogP-0.16
Rot. Bonds4

About (2S)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol

(2S)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol (PubChem CID 46912312) has the molecular formula C12H16N8O and a molecular weight of 288.31 g/mol. Its IUPAC name is (2S)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol
PubChem CID46912312
Molecular FormulaC12H16N8O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name(2S)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol
SMILESC[C@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
InChIInChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)/t7-/m0/s1
InChIKeyHMSFWLUZEDMXMM-ZETCQYMHSA-N
XLogP-0.16
TPSA120.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2S)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol 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

ST-1535
CID 9860294
9-Methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9877796
4-[6-Amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-one
CID 46912314
9-Methyl-2-pentyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9814428
2,9-Dimethyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9856035
2-Isopropyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 11673316
4-(6-Amino-9-methyl-8 [1,2,3]triazol-2-yl-9H-purin-2-yl)butan-1-ol
CID 46912311
1-(6-Amino-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-2-yl)butan-1-ol
CID 46912313
(2R)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol
CID 46912315
2-Oct-1-ynyl-9-prop-2-ynyl-8-(triazol-2-yl)purin-6-amine
CID 57344116
4-(6-Amino-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-2-yl)butan-2-ol
CID 66678431
9-Methyl-2-propyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 11608581

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol?
The IUPAC name of (2S)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol (CID 46912312) is (2S)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol.
What is the SMILES notation for (2S)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol?
The canonical SMILES for (2S)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol is C[C@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1.
What is the InChIKey of (2S)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol?
The InChIKey is HMSFWLUZEDMXMM-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)/t7-/m0/s1.
What are the key properties of (2S)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol?
(2S)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol has a molecular weight of 288.31 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol is sourced from PubChem (CID 46912312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).