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

C10H12ClN5O — CID 103076746

IUPAC3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
SMILESCc1c(Cl)nc2ncnn2c1NC1CC(O)C1
InChIInChI=1S/C10H12ClN5O/c1-5-8(11)15-10-12-4-13-16(10)9(5)14-6-2-7(17)3-6/h4,6-7,14,17H,2-3H2,1H3
InChIKeySDGXYIJIJAACPA-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.02
Rot. Bonds2

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

3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol (PubChem CID 103076746) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
PubChem CID103076746
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
SMILESCc1c(Cl)nc2ncnn2c1NC1CC(O)C1
InChIInChI=1S/C10H12ClN5O/c1-5-8(11)15-10-12-4-13-16(10)9(5)14-6-2-7(17)3-6/h4,6-7,14,17H,2-3H2,1H3
InChIKeySDGXYIJIJAACPA-UHFFFAOYSA-N
XLogP1.02
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]cyclobutan-1-ol?
The IUPAC name of 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol (CID 103076746) is 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol?
The canonical SMILES for 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol is Cc1c(Cl)nc2ncnn2c1NC1CC(O)C1.
What is the InChIKey of 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol?
The InChIKey is SDGXYIJIJAACPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-5-8(11)15-10-12-4-13-16(10)9(5)14-6-2-7(17)3-6/h4,6-7,14,17H,2-3H2,1H3.
What are the key properties of 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol?
3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol has a molecular weight of 253.69 g/mol, XLogP of 1.02, 2 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]cyclobutan-1-ol is sourced from PubChem (CID 103076746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).