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

C12H9Cl2N5 — CID 107637055

IUPAC5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(Cl)c(Nc2cc(Cl)nc3ncnn23)c1
InChIInChI=1S/C12H9Cl2N5/c1-7-2-3-8(13)9(4-7)17-11-5-10(14)18-12-15-6-16-19(11)12/h2-6,17H,1H3
InChIKeyGUJPPNNGUDNBIJ-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.48
Rot. Bonds2

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

5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 107637055) has the molecular formula C12H9Cl2N5 and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID107637055
Molecular FormulaC12H9Cl2N5
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(Cl)c(Nc2cc(Cl)nc3ncnn23)c1
InChIInChI=1S/C12H9Cl2N5/c1-7-2-3-8(13)9(4-7)17-11-5-10(14)18-12-15-6-16-19(11)12/h2-6,17H,1H3
InChIKeyGUJPPNNGUDNBIJ-UHFFFAOYSA-N
XLogP3.48
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,3-diamine
CID 54903551
N-(4-bromo-2-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918270
5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918288
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1088123
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192366
N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)isoquinolin-5-amine
CID 102918485
5-chloro-N-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918776
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide
CID 59014098
5-chloro-N-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918268
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
5-chloro-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918666

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 107637055) is 5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(Cl)c(Nc2cc(Cl)nc3ncnn23)c1.
What is the InChIKey of 5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GUJPPNNGUDNBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N5/c1-7-2-3-8(13)9(4-7)17-11-5-10(14)18-12-15-6-16-19(11)12/h2-6,17H,1H3.
What are the key properties of 5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 294.15 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 107637055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).