1-[3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl]-1,2,4-triazole

C14H25N3 — CID 123828627

IUPAC1-[3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl]-1,2,4-triazole
SMILESC[C@H]1CC[C@@](C)(CCCn2cncn2)C1(C)C
InChIInChI=1S/C14H25N3/c1-12-6-8-14(4,13(12,2)3)7-5-9-17-11-15-10-16-17/h10-12H,5-9H2,1-4H3/t12-,14+/m0/s1
InChIKeyYUGDPLALDYQFPP-GXTWGEPZSA-N
MW235.37 g/mol
LogP3.52
Rot. Bonds4

About 1-[3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl]-1,2,4-triazole

1-[3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl]-1,2,4-triazole (PubChem CID 123828627) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl]-1,2,4-triazole
PubChem CID123828627
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-[3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl]-1,2,4-triazole
SMILESC[C@H]1CC[C@@](C)(CCCn2cncn2)C1(C)C
InChIInChI=1S/C14H25N3/c1-12-6-8-14(4,13(12,2)3)7-5-9-17-11-15-10-16-17/h10-12H,5-9H2,1-4H3/t12-,14+/m0/s1
InChIKeyYUGDPLALDYQFPP-GXTWGEPZSA-N
XLogP3.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl]-1,2,4-triazole?
The IUPAC name of 1-[3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl]-1,2,4-triazole (CID 123828627) is 1-[3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl]-1,2,4-triazole.
What is the SMILES notation for 1-[3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl]-1,2,4-triazole?
The canonical SMILES for 1-[3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl]-1,2,4-triazole is C[C@H]1CC[C@@](C)(CCCn2cncn2)C1(C)C.
What is the InChIKey of 1-[3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl]-1,2,4-triazole?
The InChIKey is YUGDPLALDYQFPP-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H25N3/c1-12-6-8-14(4,13(12,2)3)7-5-9-17-11-15-10-16-17/h10-12H,5-9H2,1-4H3/t12-,14+/m0/s1.
What are the key properties of 1-[3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl]-1,2,4-triazole?
1-[3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl]-1,2,4-triazole has a molecular weight of 235.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]propyl]-1,2,4-triazole is sourced from PubChem (CID 123828627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).