1-(4-fluorobutyl)-1,2,4-triazol-3-amine

C6H11FN4 — CID 130549455

IUPAC1-(4-fluorobutyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(CCCCF)n1
InChIInChI=1S/C6H11FN4/c7-3-1-2-4-11-5-9-6(8)10-11/h5H,1-4H2,(H2,8,10)
InChIKeyGOYHYFXTAKZCHI-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.61
Rot. Bonds4

About 1-(4-fluorobutyl)-1,2,4-triazol-3-amine

1-(4-fluorobutyl)-1,2,4-triazol-3-amine (PubChem CID 130549455) has the molecular formula C6H11FN4 and a molecular weight of 158.18 g/mol. Its IUPAC name is 1-(4-fluorobutyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(4-fluorobutyl)-1,2,4-triazol-3-amine
PubChem CID130549455
Molecular FormulaC6H11FN4
Molecular Weight158.18 g/mol
Exact Mass158.10
IUPAC Name1-(4-fluorobutyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(CCCCF)n1
InChIInChI=1S/C6H11FN4/c7-3-1-2-4-11-5-9-6(8)10-11/h5H,1-4H2,(H2,8,10)
InChIKeyGOYHYFXTAKZCHI-UHFFFAOYSA-N
XLogP0.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-fluorobutyl)-1,2,4-triazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-1,2,4-Triazole-1-propanamine
CID 4379682
1H-1,2,4-Triazol-3-amine, 1-propyl-
CID 143566
1-pentyl-1H-1,2,4-triazole
CID 14267422
1H-1,2,4-Triazol-3-amine, 1-ethyl-
CID 142619
1-Butyl-1,2,4-triazole
CID 22460
1H-1,2,4-Triazol-5-amine, 1-propyl-
CID 143567
4H-1,2,4-Triazol-3-amine, 4-propyl-
CID 143568
1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine
CID 19622865
1-(2,2-difluoroethyl)-1H-1,2,4-triazol-3-amine
CID 19622867
3-(1H-1,2,4-triazol-1-yl)propan-1-amine hydrochloride
CID 44119709
3-(1H-1,2,4-triazol-1-yl)propan-1-amine dihydrochloride
CID 53398793
1-(propan-2-yl)-1H-1,2,4-triazol-3-amine
CID 60912203

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobutyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(4-fluorobutyl)-1,2,4-triazol-3-amine (CID 130549455) is 1-(4-fluorobutyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(4-fluorobutyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(4-fluorobutyl)-1,2,4-triazol-3-amine is Nc1ncn(CCCCF)n1.
What is the InChIKey of 1-(4-fluorobutyl)-1,2,4-triazol-3-amine?
The InChIKey is GOYHYFXTAKZCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4/c7-3-1-2-4-11-5-9-6(8)10-11/h5H,1-4H2,(H2,8,10).
What are the key properties of 1-(4-fluorobutyl)-1,2,4-triazol-3-amine?
1-(4-fluorobutyl)-1,2,4-triazol-3-amine has a molecular weight of 158.18 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobutyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 130549455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).