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

C11H14ClN5O — CID 103076747

IUPAC3-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
SMILESCc1c(Cl)nc2ncnn2c1NCC1CC(O)C1
InChIInChI=1S/C11H14ClN5O/c1-6-9(12)16-11-14-5-15-17(11)10(6)13-4-7-2-8(18)3-7/h5,7-8,13,18H,2-4H2,1H3
InChIKeyBGUSVFBJAWCLEW-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.27
Rot. Bonds3

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

3-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 103076747) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 3-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
PubChem CID103076747
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name3-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
SMILESCc1c(Cl)nc2ncnn2c1NCC1CC(O)C1
InChIInChI=1S/C11H14ClN5O/c1-6-9(12)16-11-14-5-15-17(11)10(6)13-4-7-2-8(18)3-7/h5,7-8,13,18H,2-4H2,1H3
InChIKeyBGUSVFBJAWCLEW-UHFFFAOYSA-N
XLogP1.27
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.27
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]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol (CID 103076747) is 3-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]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]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol is Cc1c(Cl)nc2ncnn2c1NCC1CC(O)C1.
What is the InChIKey of 3-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is BGUSVFBJAWCLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-6-9(12)16-11-14-5-15-17(11)10(6)13-4-7-2-8(18)3-7/h5,7-8,13,18H,2-4H2,1H3.
What are the key properties of 3-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol?
3-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 267.72 g/mol, XLogP of 1.27, 3 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]methyl]cyclobutan-1-ol is sourced from PubChem (CID 103076747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).