3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine

C8H7F2N5 — CID 112675660

IUPAC3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine
SMILESFc1cnc(NCc2ncn[nH]2)c(F)c1
InChIInChI=1S/C8H7F2N5/c9-5-1-6(10)8(11-2-5)12-3-7-13-4-14-15-7/h1-2,4H,3H2,(H,11,12)(H,13,14,15)
InChIKeyFGQCUNXITNKHFM-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.09
Rot. Bonds3

About 3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine

3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine (PubChem CID 112675660) has the molecular formula C8H7F2N5 and a molecular weight of 211.18 g/mol. Its IUPAC name is 3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine
PubChem CID112675660
Molecular FormulaC8H7F2N5
Molecular Weight211.18 g/mol
Exact Mass211.07
IUPAC Name3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine
SMILESFc1cnc(NCc2ncn[nH]2)c(F)c1
InChIInChI=1S/C8H7F2N5/c9-5-1-6(10)8(11-2-5)12-3-7-13-4-14-15-7/h1-2,4H,3H2,(H,11,12)(H,13,14,15)
InChIKeyFGQCUNXITNKHFM-UHFFFAOYSA-N
XLogP1.09
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine (CID 112675660) is 3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine is Fc1cnc(NCc2ncn[nH]2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine?
The InChIKey is FGQCUNXITNKHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N5/c9-5-1-6(10)8(11-2-5)12-3-7-13-4-14-15-7/h1-2,4H,3H2,(H,11,12)(H,13,14,15).
What are the key properties of 3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine?
3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine has a molecular weight of 211.18 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 112675660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).