3-[4-cyclopropyl-5-[[[1-(3,5-difluorophenyl)cyclopropyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

C19H23F2N5 — CID 91765289

IUPAC3-[4-cyclopropyl-5-[[[1-(3,5-difluorophenyl)cyclopropyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESNC1CC(c2nnc(CNC3(c4cc(F)cc(F)c4)CC3)n2C2CC2)C1
InChIInChI=1S/C19H23F2N5/c20-13-7-12(8-14(21)9-13)19(3-4-19)23-10-17-24-25-18(11-5-15(22)6-11)26(17)16-1-2-16/h7-9,11,15-16,23H,1-6,10,22H2
InChIKeyFBOMJRJNZXJWBT-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.87
Rot. Bonds6

About 3-[4-cyclopropyl-5-[[[1-(3,5-difluorophenyl)cyclopropyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[4-cyclopropyl-5-[[[1-(3,5-difluorophenyl)cyclopropyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91765289) has the molecular formula C19H23F2N5 and a molecular weight of 359.42 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-[[[1-(3,5-difluorophenyl)cyclopropyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-cyclopropyl-5-[[[1-(3,5-difluorophenyl)cyclopropyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91765289
Molecular FormulaC19H23F2N5
Molecular Weight359.42 g/mol
Exact Mass359.19
IUPAC Name3-[4-cyclopropyl-5-[[[1-(3,5-difluorophenyl)cyclopropyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESNC1CC(c2nnc(CNC3(c4cc(F)cc(F)c4)CC3)n2C2CC2)C1
InChIInChI=1S/C19H23F2N5/c20-13-7-12(8-14(21)9-13)19(3-4-19)23-10-17-24-25-18(11-5-15(22)6-11)26(17)16-1-2-16/h7-9,11,15-16,23H,1-6,10,22H2
InChIKeyFBOMJRJNZXJWBT-UHFFFAOYSA-N
XLogP2.87
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[[[1-(4-chlorophenyl)cyclopropyl]methylamino]methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91766831
3-[4-cyclopropyl-5-[(2,4-difluorophenoxy)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91761478
N-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-phenyloxan-4-amine
CID 91762948
3-[4-cyclopropyl-5-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91770567
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide
CID 75524132
3-[4-cyclopropyl-5-[(4,4,6,6-tetramethylfuro[3,4-d]pyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91793806
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-4-methylbenzamide
CID 75509318
3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91785873
3,4-dicyclopropyl-5-[(3-fluoro-5-nitrophenoxy)methyl]-1,2,4-triazole
CID 75502266
5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 86795852
1-[3-(4-cyclopropylpyrazol-1-yl)-5-fluorophenyl]-N-methylcyclopropan-1-amine
CID 171821944
(5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
CID 112593244

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-5-[[[1-(3,5-difluorophenyl)cyclopropyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-cyclopropyl-5-[[[1-(3,5-difluorophenyl)cyclopropyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91765289) is 3-[4-cyclopropyl-5-[[[1-(3,5-difluorophenyl)cyclopropyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-cyclopropyl-5-[[[1-(3,5-difluorophenyl)cyclopropyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-cyclopropyl-5-[[[1-(3,5-difluorophenyl)cyclopropyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is NC1CC(c2nnc(CNC3(c4cc(F)cc(F)c4)CC3)n2C2CC2)C1.
What is the InChIKey of 3-[4-cyclopropyl-5-[[[1-(3,5-difluorophenyl)cyclopropyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is FBOMJRJNZXJWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5/c20-13-7-12(8-14(21)9-13)19(3-4-19)23-10-17-24-25-18(11-5-15(22)6-11)26(17)16-1-2-16/h7-9,11,15-16,23H,1-6,10,22H2.
What are the key properties of 3-[4-cyclopropyl-5-[[[1-(3,5-difluorophenyl)cyclopropyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[4-cyclopropyl-5-[[[1-(3,5-difluorophenyl)cyclopropyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 359.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopropyl-5-[[[1-(3,5-difluorophenyl)cyclopropyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91765289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).