1-[1-[(1-butyltetrazol-5-yl)methyl]triazol-4-yl]ethanol

C10H17N7O — CID 81445118

IUPAC1-[1-[(1-butyltetrazol-5-yl)methyl]triazol-4-yl]ethanol
SMILESCCCCn1nnnc1Cn1cc(C(C)O)nn1
InChIInChI=1S/C10H17N7O/c1-3-4-5-17-10(12-13-15-17)7-16-6-9(8(2)18)11-14-16/h6,8,18H,3-5,7H2,1-2H3
InChIKeyVEFNMQJYNVMZFB-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.17
Rot. Bonds6

About 1-[1-[(1-butyltetrazol-5-yl)methyl]triazol-4-yl]ethanol

1-[1-[(1-butyltetrazol-5-yl)methyl]triazol-4-yl]ethanol (PubChem CID 81445118) has the molecular formula C10H17N7O and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[1-[(1-butyltetrazol-5-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(1-butyltetrazol-5-yl)methyl]triazol-4-yl]ethanol
PubChem CID81445118
Molecular FormulaC10H17N7O
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-[1-[(1-butyltetrazol-5-yl)methyl]triazol-4-yl]ethanol
SMILESCCCCn1nnnc1Cn1cc(C(C)O)nn1
InChIInChI=1S/C10H17N7O/c1-3-4-5-17-10(12-13-15-17)7-16-6-9(8(2)18)11-14-16/h6,8,18H,3-5,7H2,1-2H3
InChIKeyVEFNMQJYNVMZFB-UHFFFAOYSA-N
XLogP0.17
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-butyltetrazol-5-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(1-butyltetrazol-5-yl)methyl]triazol-4-yl]ethanol (CID 81445118) is 1-[1-[(1-butyltetrazol-5-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(1-butyltetrazol-5-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(1-butyltetrazol-5-yl)methyl]triazol-4-yl]ethanol is CCCCn1nnnc1Cn1cc(C(C)O)nn1.
What is the InChIKey of 1-[1-[(1-butyltetrazol-5-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is VEFNMQJYNVMZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O/c1-3-4-5-17-10(12-13-15-17)7-16-6-9(8(2)18)11-14-16/h6,8,18H,3-5,7H2,1-2H3.
What are the key properties of 1-[1-[(1-butyltetrazol-5-yl)methyl]triazol-4-yl]ethanol?
1-[1-[(1-butyltetrazol-5-yl)methyl]triazol-4-yl]ethanol has a molecular weight of 251.29 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-butyltetrazol-5-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 81445118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).