3,6-difluoro-1,2,4-triazin-5-amine

C3H2F2N4 — CID 12927215

IUPAC3,6-difluoro-1,2,4-triazin-5-amine
SMILESNc1nc(F)nnc1F
InChIInChI=1S/C3H2F2N4/c4-1-2(6)7-3(5)9-8-1/h(H2,6,7,9)
InChIKeyBFTAIDWXEZFVOG-UHFFFAOYSA-N
MW132.07 g/mol
LogP-0.27
Rot. Bonds

About 3,6-difluoro-1,2,4-triazin-5-amine

3,6-difluoro-1,2,4-triazin-5-amine (PubChem CID 12927215) has the molecular formula C3H2F2N4 and a molecular weight of 132.07 g/mol. Its IUPAC name is 3,6-difluoro-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-difluoro-1,2,4-triazin-5-amine
PubChem CID12927215
Molecular FormulaC3H2F2N4
Molecular Weight132.07 g/mol
Exact Mass132.02
IUPAC Name3,6-difluoro-1,2,4-triazin-5-amine
SMILESNc1nc(F)nnc1F
InChIInChI=1S/C3H2F2N4/c4-1-2(6)7-3(5)9-8-1/h(H2,6,7,9)
InChIKeyBFTAIDWXEZFVOG-UHFFFAOYSA-N
XLogP-0.27
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.07
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,6-difluoro-1,2,4-triazin-5-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

3,5,6-trifluoro-1,2,4-triazine
CID 12533026
2,5-difluoro-6-iodopyrimidin-4-amine
CID 130154478
3,5-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-6-amine
CID 12633771
2-fluoro-7H-purine-6,8-diamine
CID 172846330
5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine
CID 13026345
3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride
CID 70616529
3,6-difluoro-5-methylpyridin-2-amine
CID 135201533
2-fluoropyrido[3,2-d]pyrimidin-4-amine
CID 142156333
5-(difluoromethyl)-1-methyltriazol-4-amine
CID 130649173
1-[(5-fluoro-2-methoxyphenyl)methyl]-5-propan-2-yltriazol-4-amine
CID 79542848
ethane;2-fluoro-9-methylpurin-6-amine
CID 169190539
6-fluoropyridine-2,5-diamine
CID 130865020

Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-difluoro-1,2,4-triazin-5-amine (CID 12927215) is 3,6-difluoro-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-difluoro-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-difluoro-1,2,4-triazin-5-amine is Nc1nc(F)nnc1F.
What is the InChIKey of 3,6-difluoro-1,2,4-triazin-5-amine?
The InChIKey is BFTAIDWXEZFVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F2N4/c4-1-2(6)7-3(5)9-8-1/h(H2,6,7,9).
What are the key properties of 3,6-difluoro-1,2,4-triazin-5-amine?
3,6-difluoro-1,2,4-triazin-5-amine has a molecular weight of 132.07 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-1,2,4-triazin-5-amine is sourced from PubChem (CID 12927215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).