5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1H-1,2,4-triazol-3-amine

C12H14FN5O — CID 162369046

IUPAC5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1H-1,2,4-triazol-3-amine
SMILESNC/C(=C/F)COc1ccc(-c2nc(N)n[nH]2)cc1
InChIInChI=1S/C12H14FN5O/c13-5-8(6-14)7-19-10-3-1-9(2-4-10)11-16-12(15)18-17-11/h1-5H,6-7,14H2,(H3,15,16,17,18)/b8-5-
InChIKeyQAPIQPICDMIKEY-YVMONPNESA-N
MW263.28 g/mol
LogP1.24
Rot. Bonds5

About 5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1H-1,2,4-triazol-3-amine

5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 162369046) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1H-1,2,4-triazol-3-amine
PubChem CID162369046
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1H-1,2,4-triazol-3-amine
SMILESNC/C(=C/F)COc1ccc(-c2nc(N)n[nH]2)cc1
InChIInChI=1S/C12H14FN5O/c13-5-8(6-14)7-19-10-3-1-9(2-4-10)11-16-12(15)18-17-11/h1-5H,6-7,14H2,(H3,15,16,17,18)/b8-5-
InChIKeyQAPIQPICDMIKEY-YVMONPNESA-N
XLogP1.24
TPSA102.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1H-1,2,4-triazol-3-amine (CID 162369046) is 5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1H-1,2,4-triazol-3-amine is NC/C(=C/F)COc1ccc(-c2nc(N)n[nH]2)cc1.
What is the InChIKey of 5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is QAPIQPICDMIKEY-YVMONPNESA-N. The full InChI is InChI=1S/C12H14FN5O/c13-5-8(6-14)7-19-10-3-1-9(2-4-10)11-16-12(15)18-17-11/h1-5H,6-7,14H2,(H3,15,16,17,18)/b8-5-.
What are the key properties of 5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1H-1,2,4-triazol-3-amine?
5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 263.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 162369046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).