(3Z)-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]buta-1,3-dien-2-amine

C7H7F3N4 — CID 174342040

IUPAC(3Z)-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]buta-1,3-dien-2-amine
SMILESC=C(N)/C=C\c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N4/c1-4(11)2-3-5-12-6(14-13-5)7(8,9)10/h2-3H,1,11H2,(H,12,13,14)/b3-2-
InChIKeyQIQNISOEZMRQIY-IHWYPQMZSA-N
MW204.16 g/mol
LogP1.31
Rot. Bonds2

About (3Z)-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]buta-1,3-dien-2-amine

(3Z)-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]buta-1,3-dien-2-amine (PubChem CID 174342040) has the molecular formula C7H7F3N4 and a molecular weight of 204.16 g/mol. Its IUPAC name is (3Z)-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]buta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]buta-1,3-dien-2-amine
PubChem CID174342040
Molecular FormulaC7H7F3N4
Molecular Weight204.16 g/mol
Exact Mass204.06
IUPAC Name(3Z)-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]buta-1,3-dien-2-amine
SMILESC=C(N)/C=C\c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N4/c1-4(11)2-3-5-12-6(14-13-5)7(8,9)10/h2-3H,1,11H2,(H,12,13,14)/b3-2-
InChIKeyQIQNISOEZMRQIY-IHWYPQMZSA-N
XLogP1.31
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]buta-1,3-dien-2-amine?
The IUPAC name of (3Z)-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]buta-1,3-dien-2-amine (CID 174342040) is (3Z)-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]buta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]buta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]buta-1,3-dien-2-amine is C=C(N)/C=C\c1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of (3Z)-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]buta-1,3-dien-2-amine?
The InChIKey is QIQNISOEZMRQIY-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H7F3N4/c1-4(11)2-3-5-12-6(14-13-5)7(8,9)10/h2-3H,1,11H2,(H,12,13,14)/b3-2-.
What are the key properties of (3Z)-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]buta-1,3-dien-2-amine?
(3Z)-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]buta-1,3-dien-2-amine has a molecular weight of 204.16 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]buta-1,3-dien-2-amine is sourced from PubChem (CID 174342040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).