[3-cyclopropyl-5-(3-fluorophenyl)triazol-4-yl]methanamine

C12H13FN4 — CID 105490817

IUPAC[3-cyclopropyl-5-(3-fluorophenyl)triazol-4-yl]methanamine
SMILESNCc1c(-c2cccc(F)c2)nnn1C1CC1
InChIInChI=1S/C12H13FN4/c13-9-3-1-2-8(6-9)12-11(7-14)17(16-15-12)10-4-5-10/h1-3,6,10H,4-5,7,14H2
InChIKeyJGYIOZJQBXFLEE-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.88
Rot. Bonds3

About [3-cyclopropyl-5-(3-fluorophenyl)triazol-4-yl]methanamine

[3-cyclopropyl-5-(3-fluorophenyl)triazol-4-yl]methanamine (PubChem CID 105490817) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is [3-cyclopropyl-5-(3-fluorophenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-cyclopropyl-5-(3-fluorophenyl)triazol-4-yl]methanamine
PubChem CID105490817
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name[3-cyclopropyl-5-(3-fluorophenyl)triazol-4-yl]methanamine
SMILESNCc1c(-c2cccc(F)c2)nnn1C1CC1
InChIInChI=1S/C12H13FN4/c13-9-3-1-2-8(6-9)12-11(7-14)17(16-15-12)10-4-5-10/h1-3,6,10H,4-5,7,14H2
InChIKeyJGYIOZJQBXFLEE-UHFFFAOYSA-N
XLogP1.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine
CID 105490807
[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207879
2-[4,5-bis(3-fluorophenyl)triazol-1-yl]-1-piperidin-1-ylethanone
CID 59363201
5-(3-fluorophenyl)-3-propan-2-yltriazol-4-amine
CID 105475482
2-[3-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyltriazol-4-yl]ethanamine
CID 144988343
[4-fluoro-3-(3-fluorophenyl)phenyl]methanamine
CID 46312433
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 107524669
3-cyclopentyl-5-phenyltriazol-4-amine
CID 105485947
[6-(3-fluorophenyl)-5-methoxypyrazin-2-yl]methanamine
CID 83850538
2-[5-(3-fluorophenyl)-2-pyridinyl]ethanamine
CID 83704873
[1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94946400
[5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine
CID 82211827

Frequently Asked Questions

What is the IUPAC name of [3-cyclopropyl-5-(3-fluorophenyl)triazol-4-yl]methanamine?
The IUPAC name of [3-cyclopropyl-5-(3-fluorophenyl)triazol-4-yl]methanamine (CID 105490817) is [3-cyclopropyl-5-(3-fluorophenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [3-cyclopropyl-5-(3-fluorophenyl)triazol-4-yl]methanamine?
The canonical SMILES for [3-cyclopropyl-5-(3-fluorophenyl)triazol-4-yl]methanamine is NCc1c(-c2cccc(F)c2)nnn1C1CC1.
What is the InChIKey of [3-cyclopropyl-5-(3-fluorophenyl)triazol-4-yl]methanamine?
The InChIKey is JGYIOZJQBXFLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c13-9-3-1-2-8(6-9)12-11(7-14)17(16-15-12)10-4-5-10/h1-3,6,10H,4-5,7,14H2.
What are the key properties of [3-cyclopropyl-5-(3-fluorophenyl)triazol-4-yl]methanamine?
[3-cyclopropyl-5-(3-fluorophenyl)triazol-4-yl]methanamine has a molecular weight of 232.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopropyl-5-(3-fluorophenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 105490817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).