1-[2-[5-cyclopropyl-2-(3-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]tetrazole

C14H14FN7 — CID 72849377

IUPAC1-[2-[5-cyclopropyl-2-(3-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]tetrazole
SMILESFc1cccc(-n2nc(C3CC3)nc2CCn2cnnn2)c1
InChIInChI=1S/C14H14FN7/c15-11-2-1-3-12(8-11)22-13(6-7-21-9-16-19-20-21)17-14(18-22)10-4-5-10/h1-3,8-10H,4-7H2
InChIKeyZCDCLFBPRGPHGD-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.51
Rot. Bonds5

About 1-[2-[5-cyclopropyl-2-(3-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]tetrazole

1-[2-[5-cyclopropyl-2-(3-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]tetrazole (PubChem CID 72849377) has the molecular formula C14H14FN7 and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-[2-[5-cyclopropyl-2-(3-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]tetrazole.

Molecular Properties

Compound Name1-[2-[5-cyclopropyl-2-(3-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]tetrazole
PubChem CID72849377
Molecular FormulaC14H14FN7
Molecular Weight299.31 g/mol
Exact Mass299.13
IUPAC Name1-[2-[5-cyclopropyl-2-(3-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]tetrazole
SMILESFc1cccc(-n2nc(C3CC3)nc2CCn2cnnn2)c1
InChIInChI=1S/C14H14FN7/c15-11-2-1-3-12(8-11)22-13(6-7-21-9-16-19-20-21)17-14(18-22)10-4-5-10/h1-3,8-10H,4-7H2
InChIKeyZCDCLFBPRGPHGD-UHFFFAOYSA-N
XLogP1.51
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-((1-Phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide
CID 3074553
(1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide
CID 759769
[4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methanamine
CID 52416427
3-(2-Methylpropyl)-4-phenyl-1,2,4-triazole
CID 115393287
4-(4-Fluorophenyl)-3-methyl-1,2,4-triazole
CID 137653706
4-(5-methyl-1H-1,2,4-triazol-1-yl)aniline
CID 12877068
3-cyclopropyl-4-phenyl-4H-1,2,4-triazole
CID 115393482
1-{2-[1-(4-fluorophenyl)-3-methyl-1H-1,2,4-triazol-5-yl]ethyl}piperidine
CID 50961252
1-[(1-Phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 53589534
3-(3-Cyclopropyl-4H-1,2,4-triazol-4-YL)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 91914763
3-[(1-Benzylpyrrolidin-3-yl)methyl]-4-phenyl-1,2,4-triazole
CID 132333720
(1-phenyl-1H-1,2,4-triazol-3-yl)methanamine
CID 83816527

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-cyclopropyl-2-(3-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]tetrazole?
The IUPAC name of 1-[2-[5-cyclopropyl-2-(3-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]tetrazole (CID 72849377) is 1-[2-[5-cyclopropyl-2-(3-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]tetrazole.
What is the SMILES notation for 1-[2-[5-cyclopropyl-2-(3-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]tetrazole?
The canonical SMILES for 1-[2-[5-cyclopropyl-2-(3-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]tetrazole is Fc1cccc(-n2nc(C3CC3)nc2CCn2cnnn2)c1.
What is the InChIKey of 1-[2-[5-cyclopropyl-2-(3-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]tetrazole?
The InChIKey is ZCDCLFBPRGPHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN7/c15-11-2-1-3-12(8-11)22-13(6-7-21-9-16-19-20-21)17-14(18-22)10-4-5-10/h1-3,8-10H,4-7H2.
What are the key properties of 1-[2-[5-cyclopropyl-2-(3-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]tetrazole?
1-[2-[5-cyclopropyl-2-(3-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]tetrazole has a molecular weight of 299.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-cyclopropyl-2-(3-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]tetrazole is sourced from PubChem (CID 72849377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).