1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine

C16H23N5 — CID 114688379

IUPAC1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(C(N)c2cnnn2-c2ccccc2)CCCC1
InChIInChI=1S/C16H23N5/c1-20(2)16(10-6-7-11-16)15(17)14-12-18-19-21(14)13-8-4-3-5-9-13/h3-5,8-9,12,15H,6-7,10-11,17H2,1-2H3
InChIKeyVLGFVIXPKPILMR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.14
Rot. Bonds4

About 1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine

1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 114688379) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID114688379
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(C(N)c2cnnn2-c2ccccc2)CCCC1
InChIInChI=1S/C16H23N5/c1-20(2)16(10-6-7-11-16)15(17)14-12-18-19-21(14)13-8-4-3-5-9-13/h3-5,8-9,12,15H,6-7,10-11,17H2,1-2H3
InChIKeyVLGFVIXPKPILMR-UHFFFAOYSA-N
XLogP2.14
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[amino-(3-methyltriazol-4-yl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 114688421
(1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine
CID 114689286
[(1-methylcyclopentyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105337414
[(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 106831373
1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066805
1-[amino(phenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 59347798
(2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine
CID 107005033
cyclopropyl-(3-phenyltriazol-4-yl)methanamine
CID 114687020
1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine
CID 68559159
1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066502
2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine
CID 114688531
(5-methylpyrazin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105184416

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine (CID 114688379) is 1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine is CN(C)C1(C(N)c2cnnn2-c2ccccc2)CCCC1.
What is the InChIKey of 1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is VLGFVIXPKPILMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-20(2)16(10-6-7-11-16)15(17)14-12-18-19-21(14)13-8-4-3-5-9-13/h3-5,8-9,12,15H,6-7,10-11,17H2,1-2H3.
What are the key properties of 1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine?
1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114688379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).