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

C12H19N5 — CID 23606442

IUPAC6,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
SMILESCc1nc2nncn2c(NCCC(C)C)c1C
InChIInChI=1S/C12H19N5/c1-8(2)5-6-13-11-9(3)10(4)15-12-16-14-7-17(11)12/h7-8,13H,5-6H2,1-4H3
InChIKeyUKPGFHVNJFXPEI-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.20
Rot. Bonds4

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

6,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine (PubChem CID 23606442) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 6,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine.

Molecular Properties

Compound Name6,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
PubChem CID23606442
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name6,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
SMILESCc1nc2nncn2c(NCCC(C)C)c1C
InChIInChI=1S/C12H19N5/c1-8(2)5-6-13-11-9(3)10(4)15-12-16-14-7-17(11)12/h7-8,13H,5-6H2,1-4H3
InChIKeyUKPGFHVNJFXPEI-UHFFFAOYSA-N
XLogP2.20
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine?
The IUPAC name of 6,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine (CID 23606442) is 6,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine.
What is the SMILES notation for 6,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine?
The canonical SMILES for 6,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine is Cc1nc2nncn2c(NCCC(C)C)c1C.
What is the InChIKey of 6,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine?
The InChIKey is UKPGFHVNJFXPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-8(2)5-6-13-11-9(3)10(4)15-12-16-14-7-17(11)12/h7-8,13H,5-6H2,1-4H3.
What are the key properties of 6,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine?
6,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine has a molecular weight of 233.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine is sourced from PubChem (CID 23606442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).