N-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H15Cl2N5 — CID 133356087

IUPACN-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCc2ccc(Cl)cc2Cl)n2ncnc2n1
InChIInChI=1S/C15H15Cl2N5/c1-10-7-14(22-15(21-10)19-9-20-22)18-6-2-3-11-4-5-12(16)8-13(11)17/h4-5,7-9,18H,2-3,6H2,1H3
InChIKeyFLGNLSASYDPUDI-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.78
Rot. Bonds5

About N-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133356087) has the molecular formula C15H15Cl2N5 and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133356087
Molecular FormulaC15H15Cl2N5
Molecular Weight336.23 g/mol
Exact Mass335.07
IUPAC NameN-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCc2ccc(Cl)cc2Cl)n2ncnc2n1
InChIInChI=1S/C15H15Cl2N5/c1-10-7-14(22-15(21-10)19-9-20-22)18-6-2-3-11-4-5-12(16)8-13(11)17/h4-5,7-9,18H,2-3,6H2,1H3
InChIKeyFLGNLSASYDPUDI-UHFFFAOYSA-N
XLogP3.78
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloropentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107320766
N-(5-chloro-2-pyridinyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 133354346
5-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79040439
5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79003007
5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 43816834
3-chloro-2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]benzonitrile
CID 133354454
methyl 6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexanoate
CID 39772396
1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 115702113
2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
CID 115598697
N-[[2-chloro-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;propan-2-ol
CID 145221152
N-[2-(6-methoxy-2-pyridinyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 126809183
5-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 32680974

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133356087) is N-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCCc2ccc(Cl)cc2Cl)n2ncnc2n1.
What is the InChIKey of N-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FLGNLSASYDPUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5/c1-10-7-14(22-15(21-10)19-9-20-22)18-6-2-3-11-4-5-12(16)8-13(11)17/h4-5,7-9,18H,2-3,6H2,1H3.
What are the key properties of N-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 336.23 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133356087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).