4-(cycloocten-1-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole

C15H24N4 — CID 71427543

IUPAC4-(cycloocten-1-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole
SMILESC1=C(c2cn(C[C@@H]3CCCN3)nn2)CCCCCC1
InChIInChI=1S/C15H24N4/c1-2-4-7-13(8-5-3-1)15-12-19(18-17-15)11-14-9-6-10-16-14/h7,12,14,16H,1-6,8-11H2/t14-/m0/s1
InChIKeyLOGPSFOPXXRKSN-AWEZNQCLSA-N
MW260.38 g/mol
LogP2.77
Rot. Bonds3

About 4-(cycloocten-1-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole

4-(cycloocten-1-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole (PubChem CID 71427543) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(cycloocten-1-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole.

Molecular Properties

Compound Name4-(cycloocten-1-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole
PubChem CID71427543
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-(cycloocten-1-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole
SMILESC1=C(c2cn(C[C@@H]3CCCN3)nn2)CCCCCC1
InChIInChI=1S/C15H24N4/c1-2-4-7-13(8-5-3-1)15-12-19(18-17-15)11-14-9-6-10-16-14/h7,12,14,16H,1-6,8-11H2/t14-/m0/s1
InChIKeyLOGPSFOPXXRKSN-AWEZNQCLSA-N
XLogP2.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cycloocten-1-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole?
The IUPAC name of 4-(cycloocten-1-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole (CID 71427543) is 4-(cycloocten-1-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole.
What is the SMILES notation for 4-(cycloocten-1-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole?
The canonical SMILES for 4-(cycloocten-1-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole is C1=C(c2cn(C[C@@H]3CCCN3)nn2)CCCCCC1.
What is the InChIKey of 4-(cycloocten-1-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole?
The InChIKey is LOGPSFOPXXRKSN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-4-7-13(8-5-3-1)15-12-19(18-17-15)11-14-9-6-10-16-14/h7,12,14,16H,1-6,8-11H2/t14-/m0/s1.
What are the key properties of 4-(cycloocten-1-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole?
4-(cycloocten-1-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole has a molecular weight of 260.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloocten-1-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole is sourced from PubChem (CID 71427543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).