3-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutan-2-ol

C11H17N5O2 — CID 135133776

IUPAC3-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutan-2-ol
SMILESCOc1cc(NC(C)C(C)(C)O)n2ncnc2n1
InChIInChI=1S/C11H17N5O2/c1-7(11(2,3)17)14-8-5-9(18-4)15-10-12-6-13-16(8)10/h5-7,14,17H,1-4H3
InChIKeyGDQQOFGMZIEKFX-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.70
Rot. Bonds4

About 3-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutan-2-ol

3-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutan-2-ol (PubChem CID 135133776) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutan-2-ol
PubChem CID135133776
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name3-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutan-2-ol
SMILESCOc1cc(NC(C)C(C)(C)O)n2ncnc2n1
InChIInChI=1S/C11H17N5O2/c1-7(11(2,3)17)14-8-5-9(18-4)15-10-12-6-13-16(8)10/h5-7,14,17H,1-4H3
InChIKeyGDQQOFGMZIEKFX-UHFFFAOYSA-N
XLogP0.70
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutan-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

N-(3,3-dimethylbutan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115685845
5-(methoxymethyl)-N-(3-methyl-3-phenylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133349979
N-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133311799
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid
CID 43517144
methyl (2R)-3,3-dimethyl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 95975565
N-but-3-en-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115692025
(2S,3S)-3-methyl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pentanoic acid
CID 122050380
5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46094547
(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol
CID 134611411
(2R)-2-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 92761294
(1R)-2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-2-ol
CID 134611491
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutan-2-ol (CID 135133776) is 3-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutan-2-ol is COc1cc(NC(C)C(C)(C)O)n2ncnc2n1.
What is the InChIKey of 3-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutan-2-ol?
The InChIKey is GDQQOFGMZIEKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7(11(2,3)17)14-8-5-9(18-4)15-10-12-6-13-16(8)10/h5-7,14,17H,1-4H3.
What are the key properties of 3-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutan-2-ol?
3-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutan-2-ol has a molecular weight of 251.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 135133776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).