N-[2-(azetidin-1-yl)ethyl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-triazin-5-amine

C17H22FN5 — CID 156875320

IUPACN-[2-(azetidin-1-yl)ethyl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-triazin-5-amine
SMILESCc1nnc([C@H](C)c2ccc(F)cc2)c(NCCN2CCC2)n1
InChIInChI=1S/C17H22FN5/c1-12(14-4-6-15(18)7-5-14)16-17(20-13(2)21-22-16)19-8-11-23-9-3-10-23/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,21)/t12-/m1/s1
InChIKeyAEVBBOLAUMTQTF-GFCCVEGCSA-N
MW315.40 g/mol
LogP2.59
Rot. Bonds6

About N-[2-(azetidin-1-yl)ethyl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-triazin-5-amine

N-[2-(azetidin-1-yl)ethyl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-triazin-5-amine (PubChem CID 156875320) has the molecular formula C17H22FN5 and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[2-(azetidin-1-yl)ethyl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-[2-(azetidin-1-yl)ethyl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-triazin-5-amine
PubChem CID156875320
Molecular FormulaC17H22FN5
Molecular Weight315.40 g/mol
Exact Mass315.19
IUPAC NameN-[2-(azetidin-1-yl)ethyl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-triazin-5-amine
SMILESCc1nnc([C@H](C)c2ccc(F)cc2)c(NCCN2CCC2)n1
InChIInChI=1S/C17H22FN5/c1-12(14-4-6-15(18)7-5-14)16-17(20-13(2)21-22-16)19-8-11-23-9-3-10-23/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,21)/t12-/m1/s1
InChIKeyAEVBBOLAUMTQTF-GFCCVEGCSA-N
XLogP2.59
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-1-yl)ethyl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-triazin-5-amine?
The IUPAC name of N-[2-(azetidin-1-yl)ethyl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-triazin-5-amine (CID 156875320) is N-[2-(azetidin-1-yl)ethyl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-[2-(azetidin-1-yl)ethyl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for N-[2-(azetidin-1-yl)ethyl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-triazin-5-amine is Cc1nnc([C@H](C)c2ccc(F)cc2)c(NCCN2CCC2)n1.
What is the InChIKey of N-[2-(azetidin-1-yl)ethyl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-triazin-5-amine?
The InChIKey is AEVBBOLAUMTQTF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22FN5/c1-12(14-4-6-15(18)7-5-14)16-17(20-13(2)21-22-16)19-8-11-23-9-3-10-23/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,21)/t12-/m1/s1.
What are the key properties of N-[2-(azetidin-1-yl)ethyl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-triazin-5-amine?
N-[2-(azetidin-1-yl)ethyl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-triazin-5-amine has a molecular weight of 315.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-1-yl)ethyl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 156875320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).