N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,2,4-benzotriazin-3-amine

C15H14FN5 — CID 103203893

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,2,4-benzotriazin-3-amine
SMILESNCc1ccc(CNc2nnc3ccccc3n2)c(F)c1
InChIInChI=1S/C15H14FN5/c16-12-7-10(8-17)5-6-11(12)9-18-15-19-13-3-1-2-4-14(13)20-21-15/h1-7H,8-9,17H2,(H,18,19,21)
InChIKeyZUEHJVLMOXMCRG-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.23
Rot. Bonds4

About N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,2,4-benzotriazin-3-amine

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,2,4-benzotriazin-3-amine (PubChem CID 103203893) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,2,4-benzotriazin-3-amine
PubChem CID103203893
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,2,4-benzotriazin-3-amine
SMILESNCc1ccc(CNc2nnc3ccccc3n2)c(F)c1
InChIInChI=1S/C15H14FN5/c16-12-7-10(8-17)5-6-11(12)9-18-15-19-13-3-1-2-4-14(13)20-21-15/h1-7H,8-9,17H2,(H,18,19,21)
InChIKeyZUEHJVLMOXMCRG-UHFFFAOYSA-N
XLogP2.23
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362226
2-[(1,2,4-benzotriazin-3-ylamino)methyl]phenol
CID 103204536
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267667
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204731
N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204232
N-[1-[4-(aminomethyl)phenyl]ethyl]-1,2,4-benzotriazin-3-amine
CID 103203877
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]pyridin-5-amine
CID 102625169
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65272375
6-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 63359236
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide
CID 63359101
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea
CID 63359762
5-amino-4-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-1H-pyrimidin-6-one
CID 136972869

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,2,4-benzotriazin-3-amine (CID 103203893) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,2,4-benzotriazin-3-amine is NCc1ccc(CNc2nnc3ccccc3n2)c(F)c1.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,2,4-benzotriazin-3-amine?
The InChIKey is ZUEHJVLMOXMCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c16-12-7-10(8-17)5-6-11(12)9-18-15-19-13-3-1-2-4-14(13)20-21-15/h1-7H,8-9,17H2,(H,18,19,21).
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,2,4-benzotriazin-3-amine?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,2,4-benzotriazin-3-amine has a molecular weight of 283.31 g/mol, XLogP of 2.23, 4 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]-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103203893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).