3-[(S)-cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole

C7H10FN3 — CID 175223309

IUPAC3-[(S)-cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole
SMILESCn1cnnc1[C@@H](F)C1CC1
InChIInChI=1S/C7H10FN3/c1-11-4-9-10-7(11)6(8)5-2-3-5/h4-6H,2-3H2,1H3/t6-/m0/s1
InChIKeyTYVHMVYGVGUYAO-LURJTMIESA-N
MW155.18 g/mol
LogP1.24
Rot. Bonds2

About 3-[(S)-cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole

3-[(S)-cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole (PubChem CID 175223309) has the molecular formula C7H10FN3 and a molecular weight of 155.18 g/mol. Its IUPAC name is 3-[(S)-cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[(S)-cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole
PubChem CID175223309
Molecular FormulaC7H10FN3
Molecular Weight155.18 g/mol
Exact Mass155.09
IUPAC Name3-[(S)-cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole
SMILESCn1cnnc1[C@@H](F)C1CC1
InChIInChI=1S/C7H10FN3/c1-11-4-9-10-7(11)6(8)5-2-3-5/h4-6H,2-3H2,1H3/t6-/m0/s1
InChIKeyTYVHMVYGVGUYAO-LURJTMIESA-N
XLogP1.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(S)-cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole?
The IUPAC name of 3-[(S)-cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole (CID 175223309) is 3-[(S)-cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-[(S)-cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-[(S)-cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole is Cn1cnnc1[C@@H](F)C1CC1.
What is the InChIKey of 3-[(S)-cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole?
The InChIKey is TYVHMVYGVGUYAO-LURJTMIESA-N. The full InChI is InChI=1S/C7H10FN3/c1-11-4-9-10-7(11)6(8)5-2-3-5/h4-6H,2-3H2,1H3/t6-/m0/s1.
What are the key properties of 3-[(S)-cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole?
3-[(S)-cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole has a molecular weight of 155.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-cyclopropyl(fluoro)methyl]-4-methyl-1,2,4-triazole is sourced from PubChem (CID 175223309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).