1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol

C11H16ClN5O — CID 103076772

IUPAC1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol
SMILESCc1c(Cl)nc2ncnn2c1N(C)CC(C)(C)O
InChIInChI=1S/C11H16ClN5O/c1-7-8(12)15-10-13-6-14-17(10)9(7)16(4)5-11(2,3)18/h6,18H,5H2,1-4H3
InChIKeyXBHFSYFBKYUHOK-UHFFFAOYSA-N
MW269.74 g/mol
LogP1.29
Rot. Bonds3

About 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol

1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 103076772) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID103076772
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC Name1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol
SMILESCc1c(Cl)nc2ncnn2c1N(C)CC(C)(C)O
InChIInChI=1S/C11H16ClN5O/c1-7-8(12)15-10-13-6-14-17(10)9(7)16(4)5-11(2,3)18/h6,18H,5H2,1-4H3
InChIKeyXBHFSYFBKYUHOK-UHFFFAOYSA-N
XLogP1.29
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-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

5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076140
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 103076346
2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]methyl]-2-methylpropane-1,3-diol
CID 133381023
5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076318
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]ethanol
CID 103076298
5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076152
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol
CID 103076453
5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076539
5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076778
5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075883
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341657
5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076779

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol (CID 103076772) is 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol is Cc1c(Cl)nc2ncnn2c1N(C)CC(C)(C)O.
What is the InChIKey of 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is XBHFSYFBKYUHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O/c1-7-8(12)15-10-13-6-14-17(10)9(7)16(4)5-11(2,3)18/h6,18H,5H2,1-4H3.
What are the key properties of 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol?
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 269.74 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 103076772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).