trans-(1R,2R)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine

C15H24N6O — CID 98891261

IUPACtrans-(1R,2R)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine
SMILESC[C@@H]1CCC[C@H]1N[C@H](c1nc(-c2ncn[nH]2)no1)C(C)(C)C
InChIInChI=1S/C15H24N6O/c1-9-6-5-7-10(9)18-11(15(2,3)4)14-19-13(21-22-14)12-16-8-17-20-12/h8-11,18H,5-7H2,1-4H3,(H,16,17,20)/t9-,10-,11-/m1/s1
InChIKeyYMCSXQTXCPQEKR-GMTAPVOTSA-N
MW304.40 g/mol
LogP2.72
Rot. Bonds4

About trans-(1R,2R)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine

trans-(1R,2R)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine (PubChem CID 98891261) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine
PubChem CID98891261
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Nametrans-(1R,2R)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine
SMILESC[C@@H]1CCC[C@H]1N[C@H](c1nc(-c2ncn[nH]2)no1)C(C)(C)C
InChIInChI=1S/C15H24N6O/c1-9-6-5-7-10(9)18-11(15(2,3)4)14-19-13(21-22-14)12-16-8-17-20-12/h8-11,18H,5-7H2,1-4H3,(H,16,17,20)/t9-,10-,11-/m1/s1
InChIKeyYMCSXQTXCPQEKR-GMTAPVOTSA-N
XLogP2.72
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze trans-(1R,2R)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine (CID 98891261) is trans-(1R,2R)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine is C[C@@H]1CCC[C@H]1N[C@H](c1nc(-c2ncn[nH]2)no1)C(C)(C)C.
What is the InChIKey of trans-(1R,2R)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine?
The InChIKey is YMCSXQTXCPQEKR-GMTAPVOTSA-N. The full InChI is InChI=1S/C15H24N6O/c1-9-6-5-7-10(9)18-11(15(2,3)4)14-19-13(21-22-14)12-16-8-17-20-12/h8-11,18H,5-7H2,1-4H3,(H,16,17,20)/t9-,10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine?
trans-(1R,2R)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine has a molecular weight of 304.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 98891261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).