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

C8H14N4 — CID 59689224

IUPACcis-(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine
SMILESN[C@H]1CC[C@@H](Cn2cncn2)C1
InChIInChI=1S/C8H14N4/c9-8-2-1-7(3-8)4-12-6-10-5-11-12/h5-8H,1-4,9H2/t7-,8+/m1/s1
InChIKeyKELQHRCXOJBHHQ-SFYZADRCSA-N
MW166.23 g/mol
LogP0.41
Rot. Bonds2

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

cis-(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine (PubChem CID 59689224) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is cis-(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine
PubChem CID59689224
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Namecis-(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine
SMILESN[C@H]1CC[C@@H](Cn2cncn2)C1
InChIInChI=1S/C8H14N4/c9-8-2-1-7(3-8)4-12-6-10-5-11-12/h5-8H,1-4,9H2/t7-,8+/m1/s1
InChIKeyKELQHRCXOJBHHQ-SFYZADRCSA-N
XLogP0.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.41
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-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine (CID 59689224) is cis-(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine is N[C@H]1CC[C@@H](Cn2cncn2)C1.
What is the InChIKey of cis-(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine?
The InChIKey is KELQHRCXOJBHHQ-SFYZADRCSA-N. The full InChI is InChI=1S/C8H14N4/c9-8-2-1-7(3-8)4-12-6-10-5-11-12/h5-8H,1-4,9H2/t7-,8+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine?
cis-(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine has a molecular weight of 166.23 g/mol, XLogP of 0.41, 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-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 59689224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).