N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine

C12H22N4 — CID 79861760

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCc1nnc(CNC2CCCC2(C)C)n1C
InChIInChI=1S/C12H22N4/c1-9-14-15-11(16(9)4)8-13-10-6-5-7-12(10,2)3/h10,13H,5-8H2,1-4H3
InChIKeyFHNDRFQFTWFYOD-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.79
Rot. Bonds3

About N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79861760) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79861760
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCc1nnc(CNC2CCCC2(C)C)n1C
InChIInChI=1S/C12H22N4/c1-9-14-15-11(16(9)4)8-13-10-6-5-7-12(10,2)3/h10,13H,5-8H2,1-4H3
InChIKeyFHNDRFQFTWFYOD-UHFFFAOYSA-N
XLogP1.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 113352478
1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822774
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83021984
2,2-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclopentan-1-amine
CID 79831902
1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 43524641
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79862022
2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 79862119
2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 79861537
5-[[(2,2-dimethylcyclopentyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 79831786
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79359001
2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 79870597
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870277

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine (CID 79861760) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine is Cc1nnc(CNC2CCCC2(C)C)n1C.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is FHNDRFQFTWFYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9-14-15-11(16(9)4)8-13-10-6-5-7-12(10,2)3/h10,13H,5-8H2,1-4H3.
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79861760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).