3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole

C12H18N6O — CID 97138633

IUPAC3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1Cn1cc([C@H]2CCOC2)nn1
InChIInChI=1S/C12H18N6O/c1-2-4-17-9-13-15-12(17)7-18-6-11(14-16-18)10-3-5-19-8-10/h6,9-10H,2-5,7-8H2,1H3/t10-/m0/s1
InChIKeyWCBDYTXNGYIZQB-JTQLQIEISA-N
MW262.32 g/mol
LogP0.83
Rot. Bonds5

About 3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole

3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole (PubChem CID 97138633) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole
PubChem CID97138633
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1Cn1cc([C@H]2CCOC2)nn1
InChIInChI=1S/C12H18N6O/c1-2-4-17-9-13-15-12(17)7-18-6-11(14-16-18)10-3-5-19-8-10/h6,9-10H,2-5,7-8H2,1H3/t10-/m0/s1
InChIKeyWCBDYTXNGYIZQB-JTQLQIEISA-N
XLogP0.83
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole?
The IUPAC name of 3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole (CID 97138633) is 3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole is CCCn1cnnc1Cn1cc([C@H]2CCOC2)nn1.
What is the InChIKey of 3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole?
The InChIKey is WCBDYTXNGYIZQB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N6O/c1-2-4-17-9-13-15-12(17)7-18-6-11(14-16-18)10-3-5-19-8-10/h6,9-10H,2-5,7-8H2,1H3/t10-/m0/s1.
What are the key properties of 3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole?
3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole has a molecular weight of 262.32 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole is sourced from PubChem (CID 97138633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).