N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine

C15H20FN5 — CID 105362226

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCc2ccc(CN)cc2F)nc1CC
InChIInChI=1S/C15H20FN5/c1-3-13-14(4-2)20-21-15(19-13)18-9-11-6-5-10(8-17)7-12(11)16/h5-7H,3-4,8-9,17H2,1-2H3,(H,18,19,21)
InChIKeyRBXSDALLZBCCBE-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.21
Rot. Bonds6

About N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine (PubChem CID 105362226) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine
PubChem CID105362226
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCc2ccc(CN)cc2F)nc1CC
InChIInChI=1S/C15H20FN5/c1-3-13-14(4-2)20-21-15(19-13)18-9-11-6-5-10(8-17)7-12(11)16/h5-7H,3-4,8-9,17H2,1-2H3,(H,18,19,21)
InChIKeyRBXSDALLZBCCBE-UHFFFAOYSA-N
XLogP2.21
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,2,4-benzotriazin-3-amine
CID 103203893
N-[4-(aminomethyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363520
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267667
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65272375
5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine
CID 105362741
4-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide
CID 114386789
N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine
CID 105362304
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
CID 43270934
N-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362509
5-amino-4-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-1H-pyrimidin-6-one
CID 136972869
6-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 63359236
4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol
CID 105362499

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine (CID 105362226) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine is CCc1nnc(NCc2ccc(CN)cc2F)nc1CC.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The InChIKey is RBXSDALLZBCCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-3-13-14(4-2)20-21-15(19-13)18-9-11-6-5-10(8-17)7-12(11)16/h5-7H,3-4,8-9,17H2,1-2H3,(H,18,19,21).
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine has a molecular weight of 289.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).