cis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine

C9H16N4 — CID 165447966

IUPACcis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine
SMILESCCc1cn([C@@H]2CC[C@H](N)C2)nn1
InChIInChI=1S/C9H16N4/c1-2-8-6-13(12-11-8)9-4-3-7(10)5-9/h6-7,9H,2-5,10H2,1H3/t7-,9+/m0/s1
InChIKeyZJZWCEQSFUZLQM-IONNQARKSA-N
MW180.25 g/mol
LogP0.89
Rot. Bonds2

About cis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine

cis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine (PubChem CID 165447966) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is cis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine
PubChem CID165447966
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Namecis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine
SMILESCCc1cn([C@@H]2CC[C@H](N)C2)nn1
InChIInChI=1S/C9H16N4/c1-2-8-6-13(12-11-8)9-4-3-7(10)5-9/h6-7,9H,2-5,10H2,1H3/t7-,9+/m0/s1
InChIKeyZJZWCEQSFUZLQM-IONNQARKSA-N
XLogP0.89
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine (CID 165447966) is cis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine is CCc1cn([C@@H]2CC[C@H](N)C2)nn1.
What is the InChIKey of cis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine?
The InChIKey is ZJZWCEQSFUZLQM-IONNQARKSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-8-6-13(12-11-8)9-4-3-7(10)5-9/h6-7,9H,2-5,10H2,1H3/t7-,9+/m0/s1.
What are the key properties of cis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine?
cis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 0.89, 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-ethyltriazol-1-yl)cyclopentan-1-amine is sourced from PubChem (CID 165447966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).