2-[5-[[1-(2-hydroxyethyl)tetrazol-5-yl]-[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]tetrazol-1-yl]ethanol

C10H16N12O3 — CID 59749736

IUPAC2-[5-[[1-(2-hydroxyethyl)tetrazol-5-yl]-[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]tetrazol-1-yl]ethanol
SMILESOCCn1nnc(C(c2nnnn2CCO)c2nnnn2CCO)n1
InChIInChI=1S/C10H16N12O3/c23-4-1-20-9(12-15-18-20)7(8-11-17-22(14-8)3-6-25)10-13-16-19-21(10)2-5-24/h7,23-25H,1-6H2
InChIKeyBCVVJIMHNCJVSB-UHFFFAOYSA-N
MW352.32 g/mol
LogP-4.20
Rot. Bonds9

About 2-[5-[[1-(2-hydroxyethyl)tetrazol-5-yl]-[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]tetrazol-1-yl]ethanol

2-[5-[[1-(2-hydroxyethyl)tetrazol-5-yl]-[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]tetrazol-1-yl]ethanol (PubChem CID 59749736) has the molecular formula C10H16N12O3 and a molecular weight of 352.32 g/mol. Its IUPAC name is 2-[5-[[1-(2-hydroxyethyl)tetrazol-5-yl]-[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]tetrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[[1-(2-hydroxyethyl)tetrazol-5-yl]-[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]tetrazol-1-yl]ethanol
PubChem CID59749736
Molecular FormulaC10H16N12O3
Molecular Weight352.32 g/mol
Exact Mass352.15
IUPAC Name2-[5-[[1-(2-hydroxyethyl)tetrazol-5-yl]-[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]tetrazol-1-yl]ethanol
SMILESOCCn1nnc(C(c2nnnn2CCO)c2nnnn2CCO)n1
InChIInChI=1S/C10H16N12O3/c23-4-1-20-9(12-15-18-20)7(8-11-17-22(14-8)3-6-25)10-13-16-19-21(10)2-5-24/h7,23-25H,1-6H2
InChIKeyBCVVJIMHNCJVSB-UHFFFAOYSA-N
XLogP-4.20
TPSA191.49 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.32
LogP ≤ 5-4.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[1-(2-hydroxyethyl)tetrazol-5-yl]-[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]tetrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[[1-(2-hydroxyethyl)tetrazol-5-yl]-[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]tetrazol-1-yl]ethanol (CID 59749736) is 2-[5-[[1-(2-hydroxyethyl)tetrazol-5-yl]-[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]tetrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[[1-(2-hydroxyethyl)tetrazol-5-yl]-[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]tetrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[[1-(2-hydroxyethyl)tetrazol-5-yl]-[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]tetrazol-1-yl]ethanol is OCCn1nnc(C(c2nnnn2CCO)c2nnnn2CCO)n1.
What is the InChIKey of 2-[5-[[1-(2-hydroxyethyl)tetrazol-5-yl]-[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]tetrazol-1-yl]ethanol?
The InChIKey is BCVVJIMHNCJVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N12O3/c23-4-1-20-9(12-15-18-20)7(8-11-17-22(14-8)3-6-25)10-13-16-19-21(10)2-5-24/h7,23-25H,1-6H2.
What are the key properties of 2-[5-[[1-(2-hydroxyethyl)tetrazol-5-yl]-[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]tetrazol-1-yl]ethanol?
2-[5-[[1-(2-hydroxyethyl)tetrazol-5-yl]-[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]tetrazol-1-yl]ethanol has a molecular weight of 352.32 g/mol, XLogP of -4.20, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[1-(2-hydroxyethyl)tetrazol-5-yl]-[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]tetrazol-1-yl]ethanol is sourced from PubChem (CID 59749736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).