[7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine

C14H13Cl2N5 — CID 11674180

IUPAC[7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCc1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1
InChIInChI=1S/C14H13Cl2N5/c1-7-11(6-17)13(10-4-3-9(15)5-12(10)16)21-14(18-7)19-8(2)20-21/h3-5H,6,17H2,1-2H3
InChIKeyKJBQLZMMOXLQEQ-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.17
Rot. Bonds2

About [7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine

[7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine (PubChem CID 11674180) has the molecular formula C14H13Cl2N5 and a molecular weight of 322.20 g/mol. Its IUPAC name is [7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound Name[7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine
PubChem CID11674180
Molecular FormulaC14H13Cl2N5
Molecular Weight322.20 g/mol
Exact Mass321.05
IUPAC Name[7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCc1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1
InChIInChI=1S/C14H13Cl2N5/c1-7-11(6-17)13(10-4-3-9(15)5-12(10)16)21-14(18-7)19-8(2)20-21/h3-5H,6,17H2,1-2H3
InChIKeyKJBQLZMMOXLQEQ-UHFFFAOYSA-N
XLogP3.17
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine with MolForge

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 9909468
4-Chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 156612922
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methylphenyl)pyrimidin-4-amine
CID 10172375
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
N7-Butyl-N2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-A]pyrimidine-2,7-diamine
CID 5287523
2-(4-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 738354
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine
CID 10172376
5-(Aminomethyl)-2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine
CID 10309373
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine
CID 11688776
7-(4-Chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 824033
7-(4-Chlorophenyl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 2819376

Frequently Asked Questions

What is the IUPAC name of [7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine?
The IUPAC name of [7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine (CID 11674180) is [7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for [7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for [7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine is Cc1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1.
What is the InChIKey of [7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine?
The InChIKey is KJBQLZMMOXLQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5/c1-7-11(6-17)13(10-4-3-9(15)5-12(10)16)21-14(18-7)19-8(2)20-21/h3-5H,6,17H2,1-2H3.
What are the key properties of [7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine?
[7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine has a molecular weight of 322.20 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 11674180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).