5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C11H14ClN5O — CID 102918479

IUPAC5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN(c1cc(Cl)nc2ncnn12)C1CCOCC1
InChIInChI=1S/C11H14ClN5O/c1-16(8-2-4-18-5-3-8)10-6-9(12)15-11-13-7-14-17(10)11/h6-8H,2-5H2,1H3
InChIKeyDKBVHULFDRKNHP-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.39
Rot. Bonds2

About 5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918479) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918479
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN(c1cc(Cl)nc2ncnn12)C1CCOCC1
InChIInChI=1S/C11H14ClN5O/c1-16(8-2-4-18-5-3-8)10-6-9(12)15-11-13-7-14-17(10)11/h6-8H,2-5H2,1H3
InChIKeyDKBVHULFDRKNHP-UHFFFAOYSA-N
XLogP1.39
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918479) is 5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CN(c1cc(Cl)nc2ncnn12)C1CCOCC1.
What is the InChIKey of 5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DKBVHULFDRKNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-16(8-2-4-18-5-3-8)10-6-9(12)15-11-13-7-14-17(10)11/h6-8H,2-5H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 267.72 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).