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

C14H13ClFN5 — CID 15990007

IUPACN-(3-chloro-4-fluorophenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2nc(C)cc(Nc3ccc(F)c(Cl)c3)n2n1
InChIInChI=1S/C14H13ClFN5/c1-3-12-19-14-17-8(2)6-13(21(14)20-12)18-9-4-5-11(16)10(15)7-9/h4-7,18H,3H2,1-2H3
InChIKeyLGSKXQDQUCYTQU-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.53
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 15990007) has the molecular formula C14H13ClFN5 and a molecular weight of 305.74 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID15990007
Molecular FormulaC14H13ClFN5
Molecular Weight305.74 g/mol
Exact Mass305.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2nc(C)cc(Nc3ccc(F)c(Cl)c3)n2n1
InChIInChI=1S/C14H13ClFN5/c1-3-12-19-14-17-8(2)6-13(21(14)20-12)18-9-4-5-11(16)10(15)7-9/h4-7,18H,3H2,1-2H3
InChIKeyLGSKXQDQUCYTQU-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

Dsm-265
CID 51347395
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
N-(3-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 517858
N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 4909257
N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5307386
Pyrazolopyrimidine deriv. 2
CID 5327821
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 7416167
N-(3-chloro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 8741335
2-(1,1-Difluoroethyl)-5-Methyl-N-[4-(Trifluoromethyl)phenyl][1,2,4]triazolo[1,5-A]pyrimidin-7-Amine
CID 51349276
1-Tert-Butyl-N~3~-(3-Chlorophenyl)-1h-Pyrazolo[3,4-D]pyrimidine-3,4-Diamine
CID 129900194
N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741601

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 15990007) is N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1nc2nc(C)cc(Nc3ccc(F)c(Cl)c3)n2n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LGSKXQDQUCYTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN5/c1-3-12-19-14-17-8(2)6-13(21(14)20-12)18-9-4-5-11(16)10(15)7-9/h4-7,18H,3H2,1-2H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 305.74 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 15990007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).