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

C15H24ClN5 — CID 103076803

IUPAC5-chloro-N-(2,2-dimethylheptyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCC(C)(C)CNc1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C15H24ClN5/c1-5-6-7-8-15(3,4)9-17-13-11(2)12(16)20-14-18-10-19-21(13)14/h10,17H,5-9H2,1-4H3
InChIKeyMJJLHTAZKABMQV-UHFFFAOYSA-N
MW309.85 g/mol
LogP4.10
Rot. Bonds7

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

5-chloro-N-(2,2-dimethylheptyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076803) has the molecular formula C15H24ClN5 and a molecular weight of 309.85 g/mol. Its IUPAC name is 5-chloro-N-(2,2-dimethylheptyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(2,2-dimethylheptyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076803
Molecular FormulaC15H24ClN5
Molecular Weight309.85 g/mol
Exact Mass309.17
IUPAC Name5-chloro-N-(2,2-dimethylheptyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCC(C)(C)CNc1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C15H24ClN5/c1-5-6-7-8-15(3,4)9-17-13-11(2)12(16)20-14-18-10-19-21(13)14/h10,17H,5-9H2,1-4H3
InChIKeyMJJLHTAZKABMQV-UHFFFAOYSA-N
XLogP4.10
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-dimethylheptyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(2,2-dimethylheptyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076803) is 5-chloro-N-(2,2-dimethylheptyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(2,2-dimethylheptyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(2,2-dimethylheptyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCCCC(C)(C)CNc1c(C)c(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-N-(2,2-dimethylheptyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MJJLHTAZKABMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5/c1-5-6-7-8-15(3,4)9-17-13-11(2)12(16)20-14-18-10-19-21(13)14/h10,17H,5-9H2,1-4H3.
What are the key properties of 5-chloro-N-(2,2-dimethylheptyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(2,2-dimethylheptyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 309.85 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-dimethylheptyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).