(3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine

C11H18F2N4 — CID 112744593

IUPAC(3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESCC(C)n1ncnc1C(N)C1CCC(F)(F)C1
InChIInChI=1S/C11H18F2N4/c1-7(2)17-10(15-6-16-17)9(14)8-3-4-11(12,13)5-8/h6-9H,3-5,14H2,1-2H3
InChIKeyAKVLIOOXXRZDRE-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.29
Rot. Bonds3

About (3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine

(3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine (PubChem CID 112744593) has the molecular formula C11H18F2N4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
PubChem CID112744593
Molecular FormulaC11H18F2N4
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name(3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESCC(C)n1ncnc1C(N)C1CCC(F)(F)C1
InChIInChI=1S/C11H18F2N4/c1-7(2)17-10(15-6-16-17)9(14)8-3-4-11(12,13)5-8/h6-9H,3-5,14H2,1-2H3
InChIKeyAKVLIOOXXRZDRE-UHFFFAOYSA-N
XLogP2.29
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105317373
7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744529
(1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744552
(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol
CID 114215857
1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744541
(3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine
CID 131059316
1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 116766229
1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999458
4-[2-chloro-2-(3,3-difluorocyclopentyl)ethyl]-6-methoxypyrimidine
CID 114226793
3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol
CID 106873873
2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
CID 112744581
cyclopentyl-(3,3-difluorocyclopentyl)methanamine
CID 130484946

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine (CID 112744593) is (3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine is CC(C)n1ncnc1C(N)C1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is AKVLIOOXXRZDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4/c1-7(2)17-10(15-6-16-17)9(14)8-3-4-11(12,13)5-8/h6-9H,3-5,14H2,1-2H3.
What are the key properties of (3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
(3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 244.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 112744593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).