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

C14H13ClFN5 — CID 121320297

IUPAC7-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1ccc(F)c(CNc2nc3nc(C)cc(Cl)n3n2)c1
InChIInChI=1S/C14H13ClFN5/c1-8-3-4-11(16)10(5-8)7-17-13-19-14-18-9(2)6-12(15)21(14)20-13/h3-6H,7H2,1-2H3,(H,17,20)
InChIKeyBLISSIJKMKLSQY-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.15
Rot. Bonds3

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

7-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 121320297) has the molecular formula C14H13ClFN5 and a molecular weight of 305.74 g/mol. Its IUPAC name is 7-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID121320297
Molecular FormulaC14H13ClFN5
Molecular Weight305.74 g/mol
Exact Mass305.08
IUPAC Name7-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1ccc(F)c(CNc2nc3nc(C)cc(Cl)n3n2)c1
InChIInChI=1S/C14H13ClFN5/c1-8-3-4-11(16)10(5-8)7-17-13-19-14-18-9(2)6-12(15)21(14)20-13/h3-6H,7H2,1-2H3,(H,17,20)
InChIKeyBLISSIJKMKLSQY-UHFFFAOYSA-N
XLogP3.15
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine with MolForge

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Related Compounds

4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053753
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053756
7-chloro-5-methyl-N-(2,3,4,5-tetrahydro-1-benzofuran-6-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 145077932
5,7-dimethyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 3620899
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
N-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 115924904
3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053885
N-[(2-fluoro-5-methylphenyl)methyl]-5-methylpyridin-3-amine
CID 103824043
6-chloro-5,7-dimethyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 3940076
3-bromo-4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053891

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 121320297) is 7-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1ccc(F)c(CNc2nc3nc(C)cc(Cl)n3n2)c1.
What is the InChIKey of 7-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is BLISSIJKMKLSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN5/c1-8-3-4-11(16)10(5-8)7-17-13-19-14-18-9(2)6-12(15)21(14)20-13/h3-6H,7H2,1-2H3,(H,17,20).
What are the key properties of 7-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 305.74 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 121320297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).