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

C19H28N6O — CID 91793806

IUPAC3-[4-cyclopropyl-5-[(4,4,6,6-tetramethylfuro[3,4-d]pyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCC1(C)OC(C)(C)c2c1cnn2Cc1nnc(C2CC(N)C2)n1C1CC1
InChIInChI=1S/C19H28N6O/c1-18(2)14-9-21-24(16(14)19(3,4)26-18)10-15-22-23-17(11-7-12(20)8-11)25(15)13-5-6-13/h9,11-13H,5-8,10,20H2,1-4H3
InChIKeyMFQUARSPFDJNDE-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.56
Rot. Bonds4

About 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

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 (PubChem CID 91793806) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[4-cyclopropyl-5-[(4,4,6,6-tetramethylfuro[3,4-d]pyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91793806
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name3-[4-cyclopropyl-5-[(4,4,6,6-tetramethylfuro[3,4-d]pyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCC1(C)OC(C)(C)c2c1cnn2Cc1nnc(C2CC(N)C2)n1C1CC1
InChIInChI=1S/C19H28N6O/c1-18(2)14-9-21-24(16(14)19(3,4)26-18)10-15-22-23-17(11-7-12(20)8-11)25(15)13-5-6-13/h9,11-13H,5-8,10,20H2,1-4H3
InChIKeyMFQUARSPFDJNDE-UHFFFAOYSA-N
XLogP2.56
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

3-[4-cyclopropyl-5-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91770567
3-(chloromethyl)-4-cyclopropyl-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole
CID 115397808
3-[4-cyclopropyl-5-[[[1-(3,5-difluorophenyl)cyclopropyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91765289
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
3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91785873
(2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine
CID 124622467
(5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
CID 112593244
3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91782942
ethyl 4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 72889436
1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 91761605
3-[4-ethyl-5-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91775051

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)OC(C)(C)c2c1cnn2Cc1nnc(C2CC(N)C2)n1C1CC1.
What is the InChIKey of 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?
The InChIKey is MFQUARSPFDJNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-18(2)14-9-21-24(16(14)19(3,4)26-18)10-15-22-23-17(11-7-12(20)8-11)25(15)13-5-6-13/h9,11-13H,5-8,10,20H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 356.47 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91793806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).