5-chloro-6-methyl-N-(3-methyloxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H16ClN5O — CID 114114389

IUPAC5-chloro-6-methyl-N-(3-methyloxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NC1(C)CCCOC1
InChIInChI=1S/C12H16ClN5O/c1-8-9(13)16-11-14-7-15-18(11)10(8)17-12(2)4-3-5-19-6-12/h7,17H,3-6H2,1-2H3
InChIKeyIEJAGEAIYKSGFZ-UHFFFAOYSA-N
MW281.75 g/mol
LogP2.07
Rot. Bonds2

About 5-chloro-6-methyl-N-(3-methyloxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-6-methyl-N-(3-methyloxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 114114389) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-(3-methyloxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-(3-methyloxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID114114389
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name5-chloro-6-methyl-N-(3-methyloxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NC1(C)CCCOC1
InChIInChI=1S/C12H16ClN5O/c1-8-9(13)16-11-14-7-15-18(11)10(8)17-12(2)4-3-5-19-6-12/h7,17H,3-6H2,1-2H3
InChIKeyIEJAGEAIYKSGFZ-UHFFFAOYSA-N
XLogP2.07
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-(3-methyloxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-methyl-N-(3-methyloxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 114114389) is 5-chloro-6-methyl-N-(3-methyloxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-(3-methyloxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-methyl-N-(3-methyloxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2ncnn2c1NC1(C)CCCOC1.
What is the InChIKey of 5-chloro-6-methyl-N-(3-methyloxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IEJAGEAIYKSGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-8-9(13)16-11-14-7-15-18(11)10(8)17-12(2)4-3-5-19-6-12/h7,17H,3-6H2,1-2H3.
What are the key properties of 5-chloro-6-methyl-N-(3-methyloxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-methyl-N-(3-methyloxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 281.75 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-(3-methyloxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 114114389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).