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

C14H15N5 — CID 1429581

IUPAC5,6-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cccc(Nc2c(C)c(C)nc3ncnn23)c1
InChIInChI=1S/C14H15N5/c1-9-5-4-6-12(7-9)18-13-10(2)11(3)17-14-15-8-16-19(13)14/h4-8,18H,1-3H3
InChIKeyDTPVTYFHRFBZMJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.79
Rot. Bonds2

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

5,6-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1429581) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5,6-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID1429581
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name5,6-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cccc(Nc2c(C)c(C)nc3ncnn23)c1
InChIInChI=1S/C14H15N5/c1-9-5-4-6-12(7-9)18-13-10(2)11(3)17-14-15-8-16-19(13)14/h4-8,18H,1-3H3
InChIKeyDTPVTYFHRFBZMJ-UHFFFAOYSA-N
XLogP2.79
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5,6-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 1429581) is 5,6-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5,6-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5,6-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cccc(Nc2c(C)c(C)nc3ncnn23)c1.
What is the InChIKey of 5,6-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DTPVTYFHRFBZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9-5-4-6-12(7-9)18-13-10(2)11(3)17-14-15-8-16-19(13)14/h4-8,18H,1-3H3.
What are the key properties of 5,6-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5,6-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 253.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1429581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).