1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine

C15H19F2N5 — CID 76684296

IUPAC1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
SMILESFc1ccc(-n2cc(NCCN3CCCCC3)nn2)cc1F
InChIInChI=1S/C15H19F2N5/c16-13-5-4-12(10-14(13)17)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2
InChIKeyPMWZSLRPVRCNKM-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.44
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine

1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine (PubChem CID 76684296) has the molecular formula C15H19F2N5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
PubChem CID76684296
Molecular FormulaC15H19F2N5
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
SMILESFc1ccc(-n2cc(NCCN3CCCCC3)nn2)cc1F
InChIInChI=1S/C15H19F2N5/c16-13-5-4-12(10-14(13)17)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2
InChIKeyPMWZSLRPVRCNKM-UHFFFAOYSA-N
XLogP2.44
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76073628
1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683680
1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76683785
N-[2-(azepan-1-yl)ethyl]-1-(3-fluorophenyl)triazol-4-amine
CID 76683877
1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683885
1-[(3-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683976
N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1-(3-fluorophenyl)triazol-4-amine
CID 76683988
1-(3-fluorophenyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]triazol-4-amine
CID 76684092
1-[(3,4-difluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684100
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684104
1-[(3,4-difluorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
CID 76684202
1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
CID 76684206

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine (CID 76684296) is 1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine is Fc1ccc(-n2cc(NCCN3CCCCC3)nn2)cc1F.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The InChIKey is PMWZSLRPVRCNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5/c16-13-5-4-12(10-14(13)17)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2.
What are the key properties of 1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine has a molecular weight of 307.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine is sourced from PubChem (CID 76684296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).