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

C17H18FN5 — CID 133311521

IUPAC5-ethyl-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCC2(c3ccccc3F)CC2)n2ncnc2n1
InChIInChI=1S/C17H18FN5/c1-2-12-9-15(23-16(22-12)20-11-21-23)19-10-17(7-8-17)13-5-3-4-6-14(13)18/h3-6,9,11,19H,2,7-8,10H2,1H3
InChIKeyLDAAJYRAGTVMGU-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.97
Rot. Bonds5

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

5-ethyl-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133311521) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is 5-ethyl-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133311521
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC Name5-ethyl-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCC2(c3ccccc3F)CC2)n2ncnc2n1
InChIInChI=1S/C17H18FN5/c1-2-12-9-15(23-16(22-12)20-11-21-23)19-10-17(7-8-17)13-5-3-4-6-14(13)18/h3-6,9,11,19H,2,7-8,10H2,1H3
InChIKeyLDAAJYRAGTVMGU-UHFFFAOYSA-N
XLogP2.97
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclopentan-1-ol
CID 133271933
5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133491841
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133272351
2-ethylsulfanyl-1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
CID 133357454
N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433997
N-(2-cyclopropylethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324314
3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-fluorophenyl)piperidin-2-one
CID 138995462
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
5-(methoxymethyl)-N-[(1-methylcyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293719
5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133270243
3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylbutan-2-ol
CID 133400016
N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133272470

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133311521) is 5-ethyl-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCC2(c3ccccc3F)CC2)n2ncnc2n1.
What is the InChIKey of 5-ethyl-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LDAAJYRAGTVMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c1-2-12-9-15(23-16(22-12)20-11-21-23)19-10-17(7-8-17)13-5-3-4-6-14(13)18/h3-6,9,11,19H,2,7-8,10H2,1H3.
What are the key properties of 5-ethyl-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 311.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133311521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).