1-(1-methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanol

C8H14N4O — CID 107048030

IUPAC1-(1-methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(CC(O)C2(C)CC2)n1
InChIInChI=1S/C8H14N4O/c1-8(3-4-8)6(13)5-7-9-11-12(2)10-7/h6,13H,3-5H2,1-2H3
InChIKeyGFOOHEJCZCPMFB-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.09
Rot. Bonds3

About 1-(1-methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanol

1-(1-methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanol (PubChem CID 107048030) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanol
PubChem CID107048030
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-(1-methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(CC(O)C2(C)CC2)n1
InChIInChI=1S/C8H14N4O/c1-8(3-4-8)6(13)5-7-9-11-12(2)10-7/h6,13H,3-5H2,1-2H3
InChIKeyGFOOHEJCZCPMFB-UHFFFAOYSA-N
XLogP-0.09
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanol?
The IUPAC name of 1-(1-methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanol (CID 107048030) is 1-(1-methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 1-(1-methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 1-(1-methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanol is Cn1nnc(CC(O)C2(C)CC2)n1.
What is the InChIKey of 1-(1-methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanol?
The InChIKey is GFOOHEJCZCPMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-8(3-4-8)6(13)5-7-9-11-12(2)10-7/h6,13H,3-5H2,1-2H3.
What are the key properties of 1-(1-methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanol?
1-(1-methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanol has a molecular weight of 182.23 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 107048030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).