3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol

C13H20ClN5O — CID 106352632

IUPAC3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCc1c(Cl)nc2ncnn2c1NC(CCO)C(C)(C)C
InChIInChI=1S/C13H20ClN5O/c1-8-10(14)18-12-15-7-16-19(12)11(8)17-9(5-6-20)13(2,3)4/h7,9,17,20H,5-6H2,1-4H3
InChIKeyVMHZXEUXFXIXNY-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.30
Rot. Bonds4

About 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol

3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106352632) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106352632
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCc1c(Cl)nc2ncnn2c1NC(CCO)C(C)(C)C
InChIInChI=1S/C13H20ClN5O/c1-8-10(14)18-12-15-7-16-19(12)11(8)17-9(5-6-20)13(2,3)4/h7,9,17,20H,5-6H2,1-4H3
InChIKeyVMHZXEUXFXIXNY-UHFFFAOYSA-N
XLogP2.30
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol with MolForge

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Related Compounds

3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
CID 103076867
5-chloro-6-methyl-N-(6-methylheptan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076376
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 103076946
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-ethylbutan-1-ol
CID 103076571
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248479
5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106197254
5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 114168058
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide
CID 103076387
5-chloro-N-(2-cyclopropylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076734
5-chloro-N-hex-5-yn-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106195677
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethyl-N-methylpropanamide
CID 103112984
5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076184

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol (CID 106352632) is 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol is Cc1c(Cl)nc2ncnn2c1NC(CCO)C(C)(C)C.
What is the InChIKey of 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is VMHZXEUXFXIXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c1-8-10(14)18-12-15-7-16-19(12)11(8)17-9(5-6-20)13(2,3)4/h7,9,17,20H,5-6H2,1-4H3.
What are the key properties of 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol?
3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 297.79 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106352632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).