5,6-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H21N7 — CID 75451286

IUPAC5,6-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(Nc2ccn(CCC(C)C)n2)c1C
InChIInChI=1S/C15H21N7/c1-10(2)5-7-21-8-6-13(20-21)19-14-11(3)12(4)18-15-16-9-17-22(14)15/h6,8-10H,5,7H2,1-4H3,(H,19,20)
InChIKeyBECTUZUABUGKQO-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.73
Rot. Bonds5

About 5,6-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5,6-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 75451286) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 5,6-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID75451286
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name5,6-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(Nc2ccn(CCC(C)C)n2)c1C
InChIInChI=1S/C15H21N7/c1-10(2)5-7-21-8-6-13(20-21)19-14-11(3)12(4)18-15-16-9-17-22(14)15/h6,8-10H,5,7H2,1-4H3,(H,19,20)
InChIKeyBECTUZUABUGKQO-UHFFFAOYSA-N
XLogP2.73
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5,6-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 75451286) is 5,6-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5,6-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5,6-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(Nc2ccn(CCC(C)C)n2)c1C.
What is the InChIKey of 5,6-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BECTUZUABUGKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-10(2)5-7-21-8-6-13(20-21)19-14-11(3)12(4)18-15-16-9-17-22(14)15/h6,8-10H,5,7H2,1-4H3,(H,19,20).
What are the key properties of 5,6-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5,6-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 299.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 75451286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).