1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole

C15H19FN4 — CID 97435522

IUPAC1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole
SMILESCN1CCC[C@@H]1Cc1ncnn1Cc1ccc(F)cc1
InChIInChI=1S/C15H19FN4/c1-19-8-2-3-14(19)9-15-17-11-18-20(15)10-12-4-6-13(16)7-5-12/h4-7,11,14H,2-3,8-10H2,1H3/t14-/m1/s1
InChIKeyCKUAWYUDNOHZFK-CQSZACIVSA-N
MW274.34 g/mol
LogP2.10
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole

1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole (PubChem CID 97435522) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole
PubChem CID97435522
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole
SMILESCN1CCC[C@@H]1Cc1ncnn1Cc1ccc(F)cc1
InChIInChI=1S/C15H19FN4/c1-19-8-2-3-14(19)9-15-17-11-18-20(15)10-12-4-6-13(16)7-5-12/h4-7,11,14H,2-3,8-10H2,1H3/t14-/m1/s1
InChIKeyCKUAWYUDNOHZFK-CQSZACIVSA-N
XLogP2.10
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole (CID 97435522) is 1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole is CN1CCC[C@@H]1Cc1ncnn1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole?
The InChIKey is CKUAWYUDNOHZFK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19FN4/c1-19-8-2-3-14(19)9-15-17-11-18-20(15)10-12-4-6-13(16)7-5-12/h4-7,11,14H,2-3,8-10H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole?
1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole has a molecular weight of 274.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole is sourced from PubChem (CID 97435522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).