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

C7H12N4 — CID 178191125

IUPACcis-(1S,2R)-2-(1,2,4-triazol-4-yl)cyclopentan-1-amine
SMILESN[C@H]1CCC[C@H]1n1cnnc1
InChIInChI=1S/C7H12N4/c8-6-2-1-3-7(6)11-4-9-10-5-11/h4-7H,1-3,8H2/t6-,7+/m0/s1
InChIKeyDITMBZFQBXFPMH-NKWVEPMBSA-N
MW152.20 g/mol
LogP0.33
Rot. Bonds1

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

cis-(1S,2R)-2-(1,2,4-triazol-4-yl)cyclopentan-1-amine (PubChem CID 178191125) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is cis-(1S,2R)-2-(1,2,4-triazol-4-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-(1,2,4-triazol-4-yl)cyclopentan-1-amine
PubChem CID178191125
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Namecis-(1S,2R)-2-(1,2,4-triazol-4-yl)cyclopentan-1-amine
SMILESN[C@H]1CCC[C@H]1n1cnnc1
InChIInChI=1S/C7H12N4/c8-6-2-1-3-7(6)11-4-9-10-5-11/h4-7H,1-3,8H2/t6-,7+/m0/s1
InChIKeyDITMBZFQBXFPMH-NKWVEPMBSA-N
XLogP0.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(1,2,4-triazol-4-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,2R)-2-(1,2,4-triazol-4-yl)cyclopentan-1-amine (CID 178191125) is cis-(1S,2R)-2-(1,2,4-triazol-4-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-(1,2,4-triazol-4-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-(1,2,4-triazol-4-yl)cyclopentan-1-amine is N[C@H]1CCC[C@H]1n1cnnc1.
What is the InChIKey of cis-(1S,2R)-2-(1,2,4-triazol-4-yl)cyclopentan-1-amine?
The InChIKey is DITMBZFQBXFPMH-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H12N4/c8-6-2-1-3-7(6)11-4-9-10-5-11/h4-7H,1-3,8H2/t6-,7+/m0/s1.
What are the key properties of cis-(1S,2R)-2-(1,2,4-triazol-4-yl)cyclopentan-1-amine?
cis-(1S,2R)-2-(1,2,4-triazol-4-yl)cyclopentan-1-amine has a molecular weight of 152.20 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(1,2,4-triazol-4-yl)cyclopentan-1-amine is sourced from PubChem (CID 178191125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).