N-cyclooctyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H21N5 — CID 18191248

IUPACN-cyclooctyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCCCCC2)n2ncnc2n1
InChIInChI=1S/C14H21N5/c1-11-9-13(19-14(17-11)15-10-16-19)18-12-7-5-3-2-4-6-8-12/h9-10,12,18H,2-8H2,1H3
InChIKeyQISZATDFXHNNTP-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.96
Rot. Bonds2

About N-cyclooctyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-cyclooctyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 18191248) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-cyclooctyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclooctyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID18191248
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-cyclooctyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCCCCC2)n2ncnc2n1
InChIInChI=1S/C14H21N5/c1-11-9-13(19-14(17-11)15-10-16-19)18-12-7-5-3-2-4-6-8-12/h9-10,12,18H,2-8H2,1H3
InChIKeyQISZATDFXHNNTP-UHFFFAOYSA-N
XLogP2.96
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cyclooctyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 18191248) is N-cyclooctyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cyclooctyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cyclooctyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CCCCCCC2)n2ncnc2n1.
What is the InChIKey of N-cyclooctyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QISZATDFXHNNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11-9-13(19-14(17-11)15-10-16-19)18-12-7-5-3-2-4-6-8-12/h9-10,12,18H,2-8H2,1H3.
What are the key properties of N-cyclooctyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-cyclooctyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 259.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 18191248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).