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

C15H17N5 — CID 3620899

IUPAC5,7-dimethyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cccc(CNc2nc3nc(C)cc(C)n3n2)c1
InChIInChI=1S/C15H17N5/c1-10-5-4-6-13(7-10)9-16-14-18-15-17-11(2)8-12(3)20(15)19-14/h4-8H,9H2,1-3H3,(H,16,19)
InChIKeyOMAITAVOUHWURK-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.66
Rot. Bonds3

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

5,7-dimethyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 3620899) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5,7-dimethyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5,7-dimethyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID3620899
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name5,7-dimethyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cccc(CNc2nc3nc(C)cc(C)n3n2)c1
InChIInChI=1S/C15H17N5/c1-10-5-4-6-13(7-10)9-16-14-18-15-17-11(2)8-12(3)20(15)19-14/h4-8H,9H2,1-3H3,(H,16,19)
InChIKeyOMAITAVOUHWURK-UHFFFAOYSA-N
XLogP2.66
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5,7-dimethyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 3620899) is 5,7-dimethyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5,7-dimethyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5,7-dimethyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1cccc(CNc2nc3nc(C)cc(C)n3n2)c1.
What is the InChIKey of 5,7-dimethyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is OMAITAVOUHWURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10-5-4-6-13(7-10)9-16-14-18-15-17-11(2)8-12(3)20(15)19-14/h4-8H,9H2,1-3H3,(H,16,19).
What are the key properties of 5,7-dimethyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5,7-dimethyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 267.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 3620899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).