cis-(1S,3R)-3-(4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine

C13H16N4 — CID 106324425

IUPACcis-(1S,3R)-3-(4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESN[C@H]1CC[C@@H](c2nncn2-c2ccccc2)C1
InChIInChI=1S/C13H16N4/c14-11-7-6-10(8-11)13-16-15-9-17(13)12-4-2-1-3-5-12/h1-5,9-11H,6-8,14H2/t10-,11+/m1/s1
InChIKeyTYLHLYFKDLIOAT-MNOVXSKESA-N
MW228.30 g/mol
LogP1.86
Rot. Bonds2

About cis-(1S,3R)-3-(4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine

cis-(1S,3R)-3-(4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine (PubChem CID 106324425) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is cis-(1S,3R)-3-(4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-(4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
PubChem CID106324425
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Namecis-(1S,3R)-3-(4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESN[C@H]1CC[C@@H](c2nncn2-c2ccccc2)C1
InChIInChI=1S/C13H16N4/c14-11-7-6-10(8-11)13-16-15-9-17(13)12-4-2-1-3-5-12/h1-5,9-11H,6-8,14H2/t10-,11+/m1/s1
InChIKeyTYLHLYFKDLIOAT-MNOVXSKESA-N
XLogP1.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole
CID 115393362
2,3,3-trimethyl-4-(4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 102630997
2-(4-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
CID 62709741
3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
CID 95111353
3-(4-methoxypyrrolidin-2-yl)-4-phenyl-1,2,4-triazole
CID 62711957
4-phenyl-1,2,4-triazol-3-amine
CID 12949094
3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole
CID 115393448
(4-methylphenyl)-[3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192830
[3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 53192818
(6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192642
1-cyclopropyl-1-(4-phenyl-1,2,4-triazol-3-yl)ethanamine
CID 64668296
N-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide
CID 95111479

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-(4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine (CID 106324425) is cis-(1S,3R)-3-(4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-(4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-(4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine is N[C@H]1CC[C@@H](c2nncn2-c2ccccc2)C1.
What is the InChIKey of cis-(1S,3R)-3-(4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The InChIKey is TYLHLYFKDLIOAT-MNOVXSKESA-N. The full InChI is InChI=1S/C13H16N4/c14-11-7-6-10(8-11)13-16-15-9-17(13)12-4-2-1-3-5-12/h1-5,9-11H,6-8,14H2/t10-,11+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
cis-(1S,3R)-3-(4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine has a molecular weight of 228.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 106324425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).