(3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopenten-1-amine

C8H12N4 — CID 66924390

IUPAC(3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopenten-1-amine
SMILESNC1=C[C@@H](Cn2cncn2)CC1
InChIInChI=1S/C8H12N4/c9-8-2-1-7(3-8)4-12-6-10-5-11-12/h3,5-7H,1-2,4,9H2/t7-/m0/s1
InChIKeyYNLBYTLHJNWYCL-ZETCQYMHSA-N
MW164.21 g/mol
LogP0.53
Rot. Bonds2

About (3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopenten-1-amine

(3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopenten-1-amine (PubChem CID 66924390) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is (3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopenten-1-amine.

Molecular Properties

Compound Name(3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopenten-1-amine
PubChem CID66924390
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name(3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopenten-1-amine
SMILESNC1=C[C@@H](Cn2cncn2)CC1
InChIInChI=1S/C8H12N4/c9-8-2-1-7(3-8)4-12-6-10-5-11-12/h3,5-7H,1-2,4,9H2/t7-/m0/s1
InChIKeyYNLBYTLHJNWYCL-ZETCQYMHSA-N
XLogP0.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopenten-1-amine?
The IUPAC name of (3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopenten-1-amine (CID 66924390) is (3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopenten-1-amine.
What is the SMILES notation for (3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopenten-1-amine?
The canonical SMILES for (3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopenten-1-amine is NC1=C[C@@H](Cn2cncn2)CC1.
What is the InChIKey of (3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopenten-1-amine?
The InChIKey is YNLBYTLHJNWYCL-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N4/c9-8-2-1-7(3-8)4-12-6-10-5-11-12/h3,5-7H,1-2,4,9H2/t7-/m0/s1.
What are the key properties of (3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopenten-1-amine?
(3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopenten-1-amine has a molecular weight of 164.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopenten-1-amine is sourced from PubChem (CID 66924390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).