2-N-(3-chlorophenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine

C19H16ClF2N7 — CID 10295354

IUPAC2-N-(3-chlorophenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
SMILESCc1cc(NCC(F)(F)c2ccccn2)n2nc(Nc3cccc(Cl)c3)nc2n1
InChIInChI=1S/C19H16ClF2N7/c1-12-9-16(24-11-19(21,22)15-7-2-3-8-23-15)29-18(25-12)27-17(28-29)26-14-6-4-5-13(20)10-14/h2-10,24H,11H2,1H3,(H,26,28)
InChIKeyWKQAJYBPSSOPLG-UHFFFAOYSA-N
MW415.84 g/mol
LogP4.43
Rot. Bonds6

About 2-N-(3-chlorophenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine

2-N-(3-chlorophenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine (PubChem CID 10295354) has the molecular formula C19H16ClF2N7 and a molecular weight of 415.84 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
PubChem CID10295354
Molecular FormulaC19H16ClF2N7
Molecular Weight415.84 g/mol
Exact Mass415.11
IUPAC Name2-N-(3-chlorophenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
SMILESCc1cc(NCC(F)(F)c2ccccn2)n2nc(Nc3cccc(Cl)c3)nc2n1
InChIInChI=1S/C19H16ClF2N7/c1-12-9-16(24-11-19(21,22)15-7-2-3-8-23-15)29-18(25-12)27-17(28-29)26-14-6-4-5-13(20)10-14/h2-10,24H,11H2,1H3,(H,26,28)
InChIKeyWKQAJYBPSSOPLG-UHFFFAOYSA-N
XLogP4.43
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.84
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(3-chlorophenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine with MolForge

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Related Compounds

Pyrazolo[1,5-b]pyridazine deriv. 36
CID 6539378
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223753
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
Pyrazine-Pyridine Biheteroaryl 57
CID 5330391
Imidazo[1,2-a]pyridine deriv. 1c
CID 6539020
Pyrazolo[1,5-b]pyridazine deriv. 31
CID 6539373
Pyrazolo[1,5-b]pyridazine deriv. 84
CID 6539426
Pyrazolo[1,5-b]pyridazine deriv. 90
CID 6539432

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine?
The IUPAC name of 2-N-(3-chlorophenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine (CID 10295354) is 2-N-(3-chlorophenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine.
What is the SMILES notation for 2-N-(3-chlorophenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine?
The canonical SMILES for 2-N-(3-chlorophenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine is Cc1cc(NCC(F)(F)c2ccccn2)n2nc(Nc3cccc(Cl)c3)nc2n1.
What is the InChIKey of 2-N-(3-chlorophenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine?
The InChIKey is WKQAJYBPSSOPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N7/c1-12-9-16(24-11-19(21,22)15-7-2-3-8-23-15)29-18(25-12)27-17(28-29)26-14-6-4-5-13(20)10-14/h2-10,24H,11H2,1H3,(H,26,28).
What are the key properties of 2-N-(3-chlorophenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine?
2-N-(3-chlorophenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine has a molecular weight of 415.84 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine is sourced from PubChem (CID 10295354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).