1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanol

C9H17N5O — CID 107052578

IUPAC1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2nnn(C)n2)C1
InChIInChI=1S/C9H17N5O/c1-7(15)8-3-4-14(5-8)6-9-10-12-13(2)11-9/h7-8,15H,3-6H2,1-2H3
InChIKeyKCLLADILTARVBC-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.59
Rot. Bonds3

About 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanol

1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 107052578) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID107052578
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2nnn(C)n2)C1
InChIInChI=1S/C9H17N5O/c1-7(15)8-3-4-14(5-8)6-9-10-12-13(2)11-9/h7-8,15H,3-6H2,1-2H3
InChIKeyKCLLADILTARVBC-UHFFFAOYSA-N
XLogP-0.59
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanol (CID 107052578) is 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(Cc2nnn(C)n2)C1.
What is the InChIKey of 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is KCLLADILTARVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-7(15)8-3-4-14(5-8)6-9-10-12-13(2)11-9/h7-8,15H,3-6H2,1-2H3.
What are the key properties of 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanol?
1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 211.27 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 107052578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).