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

C15H17N5 — CID 43816834

IUPAC5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cccc(CCNc2cc(C)nc3ncnn23)c1
InChIInChI=1S/C15H17N5/c1-11-4-3-5-13(8-11)6-7-16-14-9-12(2)19-15-17-10-18-20(14)15/h3-5,8-10,16H,6-7H2,1-2H3
InChIKeyTWXPXSDROADZMV-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.40
Rot. Bonds4

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

5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 43816834) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID43816834
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cccc(CCNc2cc(C)nc3ncnn23)c1
InChIInChI=1S/C15H17N5/c1-11-4-3-5-13(8-11)6-7-16-14-9-12(2)19-15-17-10-18-20(14)15/h3-5,8-10,16H,6-7H2,1-2H3
InChIKeyTWXPXSDROADZMV-UHFFFAOYSA-N
XLogP2.40
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 30039075
5-methyl-N-[[4-(3-methylphenyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133307758
N-[2-(6-methoxy-2-pyridinyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 126809183
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 60965953
N-[[3-(dimethylamino)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133279612
5-methyl-N-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18095972
5-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 32680974
N-(5-chloropentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107320766
5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63226890
N-[2-(3-bromophenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133270163
N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide
CID 31661006
4,6-dimethyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-2-amine
CID 62313023

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 43816834) is 5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cccc(CCNc2cc(C)nc3ncnn23)c1.
What is the InChIKey of 5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is TWXPXSDROADZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-11-4-3-5-13(8-11)6-7-16-14-9-12(2)19-15-17-10-18-20(14)15/h3-5,8-10,16H,6-7H2,1-2H3.
What are the key properties of 5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 267.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 43816834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).