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

C15H15ClFN5O — CID 133431042

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(N(C)Cc2ccc(Cl)c(F)c2)n2ncnc2n1
InChIInChI=1S/C15H15ClFN5O/c1-21(7-10-3-4-12(16)13(17)5-10)14-6-11(8-23-2)20-15-18-9-19-22(14)15/h3-6,9H,7-8H2,1-2H3
InChIKeyXJFMNOMUOOUITD-UHFFFAOYSA-N
MW335.77 g/mol
LogP2.70
Rot. Bonds5

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

N-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133431042) has the molecular formula C15H15ClFN5O and a molecular weight of 335.77 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133431042
Molecular FormulaC15H15ClFN5O
Molecular Weight335.77 g/mol
Exact Mass335.09
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(N(C)Cc2ccc(Cl)c(F)c2)n2ncnc2n1
InChIInChI=1S/C15H15ClFN5O/c1-21(7-10-3-4-12(16)13(17)5-10)14-6-11(8-23-2)20-15-18-9-19-22(14)15/h3-6,9H,7-8H2,1-2H3
InChIKeyXJFMNOMUOOUITD-UHFFFAOYSA-N
XLogP2.70
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133410799
5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918526
5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133356711
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 145221185
2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol
CID 100672955
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133274366
1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine
CID 133314695
N-[(2-fluorophenyl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191340
5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 130626781
1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine
CID 131177038
N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191323
7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133274031

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133431042) is N-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCc1cc(N(C)Cc2ccc(Cl)c(F)c2)n2ncnc2n1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XJFMNOMUOOUITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN5O/c1-21(7-10-3-4-12(16)13(17)5-10)14-6-11(8-23-2)20-15-18-9-19-22(14)15/h3-6,9H,7-8H2,1-2H3.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 335.77 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133431042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).