(1S)-1-(1-methylimidazol-2-yl)-2-[[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethanol

C13H16N8O — CID 30869034

IUPAC(1S)-1-(1-methylimidazol-2-yl)-2-[[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethanol
SMILESCn1ccnc1[C@@H](O)CNc1nccc(-c2ncnn2C)n1
InChIInChI=1S/C13H16N8O/c1-20-6-5-14-12(20)10(22)7-16-13-15-4-3-9(19-13)11-17-8-18-21(11)2/h3-6,8,10,22H,7H2,1-2H3,(H,15,16,19)/t10-/m0/s1
InChIKeySGYJDQCONBXEET-JTQLQIEISA-N
MW300.33 g/mol
LogP0.15
Rot. Bonds5

About (1S)-1-(1-methylimidazol-2-yl)-2-[[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethanol

(1S)-1-(1-methylimidazol-2-yl)-2-[[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethanol (PubChem CID 30869034) has the molecular formula C13H16N8O and a molecular weight of 300.33 g/mol. Its IUPAC name is (1S)-1-(1-methylimidazol-2-yl)-2-[[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name(1S)-1-(1-methylimidazol-2-yl)-2-[[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethanol
PubChem CID30869034
Molecular FormulaC13H16N8O
Molecular Weight300.33 g/mol
Exact Mass300.14
IUPAC Name(1S)-1-(1-methylimidazol-2-yl)-2-[[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethanol
SMILESCn1ccnc1[C@@H](O)CNc1nccc(-c2ncnn2C)n1
InChIInChI=1S/C13H16N8O/c1-20-6-5-14-12(20)10(22)7-16-13-15-4-3-9(19-13)11-17-8-18-21(11)2/h3-6,8,10,22H,7H2,1-2H3,(H,15,16,19)/t10-/m0/s1
InChIKeySGYJDQCONBXEET-JTQLQIEISA-N
XLogP0.15
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (1S)-1-(1-methylimidazol-2-yl)-2-[[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethanol 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 (1S)-1-(1-methylimidazol-2-yl)-2-[[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of (1S)-1-(1-methylimidazol-2-yl)-2-[[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethanol (CID 30869034) is (1S)-1-(1-methylimidazol-2-yl)-2-[[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for (1S)-1-(1-methylimidazol-2-yl)-2-[[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for (1S)-1-(1-methylimidazol-2-yl)-2-[[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethanol is Cn1ccnc1[C@@H](O)CNc1nccc(-c2ncnn2C)n1.
What is the InChIKey of (1S)-1-(1-methylimidazol-2-yl)-2-[[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethanol?
The InChIKey is SGYJDQCONBXEET-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N8O/c1-20-6-5-14-12(20)10(22)7-16-13-15-4-3-9(19-13)11-17-8-18-21(11)2/h3-6,8,10,22H,7H2,1-2H3,(H,15,16,19)/t10-/m0/s1.
What are the key properties of (1S)-1-(1-methylimidazol-2-yl)-2-[[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethanol?
(1S)-1-(1-methylimidazol-2-yl)-2-[[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethanol has a molecular weight of 300.33 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methylimidazol-2-yl)-2-[[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 30869034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).