8-(3-fluoropropyl)-7-(imidazol-1-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine

C12H13FN6 — CID 141106494

IUPAC8-(3-fluoropropyl)-7-(imidazol-1-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESFCCCc1c(Cn2ccnc2)ncn2ncnc12
InChIInChI=1S/C12H13FN6/c13-3-1-2-10-11(6-18-5-4-14-8-18)16-9-19-12(10)15-7-17-19/h4-5,7-9H,1-3,6H2
InChIKeyAUHIMNVXTPCRSV-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.27
Rot. Bonds5

About 8-(3-fluoropropyl)-7-(imidazol-1-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine

8-(3-fluoropropyl)-7-(imidazol-1-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 141106494) has the molecular formula C12H13FN6 and a molecular weight of 260.28 g/mol. Its IUPAC name is 8-(3-fluoropropyl)-7-(imidazol-1-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name8-(3-fluoropropyl)-7-(imidazol-1-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID141106494
Molecular FormulaC12H13FN6
Molecular Weight260.28 g/mol
Exact Mass260.12
IUPAC Name8-(3-fluoropropyl)-7-(imidazol-1-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESFCCCc1c(Cn2ccnc2)ncn2ncnc12
InChIInChI=1S/C12H13FN6/c13-3-1-2-10-11(6-18-5-4-14-8-18)16-9-19-12(10)15-7-17-19/h4-5,7-9H,1-3,6H2
InChIKeyAUHIMNVXTPCRSV-UHFFFAOYSA-N
XLogP1.27
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoropropyl)-7-(imidazol-1-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 8-(3-fluoropropyl)-7-(imidazol-1-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine (CID 141106494) is 8-(3-fluoropropyl)-7-(imidazol-1-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 8-(3-fluoropropyl)-7-(imidazol-1-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 8-(3-fluoropropyl)-7-(imidazol-1-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine is FCCCc1c(Cn2ccnc2)ncn2ncnc12.
What is the InChIKey of 8-(3-fluoropropyl)-7-(imidazol-1-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is AUHIMNVXTPCRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN6/c13-3-1-2-10-11(6-18-5-4-14-8-18)16-9-19-12(10)15-7-17-19/h4-5,7-9H,1-3,6H2.
What are the key properties of 8-(3-fluoropropyl)-7-(imidazol-1-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
8-(3-fluoropropyl)-7-(imidazol-1-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 260.28 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoropropyl)-7-(imidazol-1-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 141106494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).