3-fluoro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine

C5H6FN5 — CID 146482438

IUPAC3-fluoro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine
SMILESCc1[nH]n2c(F)nnc2c1N
InChIInChI=1S/C5H6FN5/c1-2-3(7)4-8-9-5(6)11(4)10-2/h10H,7H2,1H3
InChIKeyKAEREHCBIWQRCR-UHFFFAOYSA-N
MW155.14 g/mol
LogP0.09
Rot. Bonds

About 3-fluoro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine

3-fluoro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine (PubChem CID 146482438) has the molecular formula C5H6FN5 and a molecular weight of 155.14 g/mol. Its IUPAC name is 3-fluoro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine.

Molecular Properties

Compound Name3-fluoro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine
PubChem CID146482438
Molecular FormulaC5H6FN5
Molecular Weight155.14 g/mol
Exact Mass155.06
IUPAC Name3-fluoro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine
SMILESCc1[nH]n2c(F)nnc2c1N
InChIInChI=1S/C5H6FN5/c1-2-3(7)4-8-9-5(6)11(4)10-2/h10H,7H2,1H3
InChIKeyKAEREHCBIWQRCR-UHFFFAOYSA-N
XLogP0.09
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.14
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine?
The IUPAC name of 3-fluoro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine (CID 146482438) is 3-fluoro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine.
What is the SMILES notation for 3-fluoro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine?
The canonical SMILES for 3-fluoro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine is Cc1[nH]n2c(F)nnc2c1N.
What is the InChIKey of 3-fluoro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine?
The InChIKey is KAEREHCBIWQRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN5/c1-2-3(7)4-8-9-5(6)11(4)10-2/h10H,7H2,1H3.
What are the key properties of 3-fluoro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine?
3-fluoro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine has a molecular weight of 155.14 g/mol, XLogP of 0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine is sourced from PubChem (CID 146482438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).