5-fluoro-N-(2H-triazol-4-ylmethyl)pyrimidin-2-amine

C7H7FN6 — CID 131107522

IUPAC5-fluoro-N-(2H-triazol-4-ylmethyl)pyrimidin-2-amine
SMILESFc1cnc(NCc2cn[nH]n2)nc1
InChIInChI=1S/C7H7FN6/c8-5-1-9-7(10-2-5)11-3-6-4-12-14-13-6/h1-2,4H,3H2,(H,9,10,11)(H,12,13,14)
InChIKeyYZMZXRKHKPXRBK-UHFFFAOYSA-N
MW194.17 g/mol
LogP0.35
Rot. Bonds3

About 5-fluoro-N-(2H-triazol-4-ylmethyl)pyrimidin-2-amine

5-fluoro-N-(2H-triazol-4-ylmethyl)pyrimidin-2-amine (PubChem CID 131107522) has the molecular formula C7H7FN6 and a molecular weight of 194.17 g/mol. Its IUPAC name is 5-fluoro-N-(2H-triazol-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(2H-triazol-4-ylmethyl)pyrimidin-2-amine
PubChem CID131107522
Molecular FormulaC7H7FN6
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Name5-fluoro-N-(2H-triazol-4-ylmethyl)pyrimidin-2-amine
SMILESFc1cnc(NCc2cn[nH]n2)nc1
InChIInChI=1S/C7H7FN6/c8-5-1-9-7(10-2-5)11-3-6-4-12-14-13-6/h1-2,4H,3H2,(H,9,10,11)(H,12,13,14)
InChIKeyYZMZXRKHKPXRBK-UHFFFAOYSA-N
XLogP0.35
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2H-triazol-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(2H-triazol-4-ylmethyl)pyrimidin-2-amine (CID 131107522) is 5-fluoro-N-(2H-triazol-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(2H-triazol-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(2H-triazol-4-ylmethyl)pyrimidin-2-amine is Fc1cnc(NCc2cn[nH]n2)nc1.
What is the InChIKey of 5-fluoro-N-(2H-triazol-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is YZMZXRKHKPXRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN6/c8-5-1-9-7(10-2-5)11-3-6-4-12-14-13-6/h1-2,4H,3H2,(H,9,10,11)(H,12,13,14).
What are the key properties of 5-fluoro-N-(2H-triazol-4-ylmethyl)pyrimidin-2-amine?
5-fluoro-N-(2H-triazol-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 194.17 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2H-triazol-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 131107522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).