3-[5-(2-aminoethyl)tetrazol-2-yl]propan-1-ol

C6H13N5O — CID 57466832

IUPAC3-[5-(2-aminoethyl)tetrazol-2-yl]propan-1-ol
SMILESNCCc1nnn(CCCO)n1
InChIInChI=1S/C6H13N5O/c7-3-2-6-8-10-11(9-6)4-1-5-12/h12H,1-5,7H2
InChIKeyWEEBBGSKZRNHSJ-UHFFFAOYSA-N
MW171.20 g/mol
LogP-1.44
Rot. Bonds5

About 3-[5-(2-aminoethyl)tetrazol-2-yl]propan-1-ol

3-[5-(2-aminoethyl)tetrazol-2-yl]propan-1-ol (PubChem CID 57466832) has the molecular formula C6H13N5O and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-[5-(2-aminoethyl)tetrazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(2-aminoethyl)tetrazol-2-yl]propan-1-ol
PubChem CID57466832
Molecular FormulaC6H13N5O
Molecular Weight171.20 g/mol
Exact Mass171.11
IUPAC Name3-[5-(2-aminoethyl)tetrazol-2-yl]propan-1-ol
SMILESNCCc1nnn(CCCO)n1
InChIInChI=1S/C6H13N5O/c7-3-2-6-8-10-11(9-6)4-1-5-12/h12H,1-5,7H2
InChIKeyWEEBBGSKZRNHSJ-UHFFFAOYSA-N
XLogP-1.44
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-aminoethyl)tetrazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-(2-aminoethyl)tetrazol-2-yl]propan-1-ol (CID 57466832) is 3-[5-(2-aminoethyl)tetrazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(2-aminoethyl)tetrazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-(2-aminoethyl)tetrazol-2-yl]propan-1-ol is NCCc1nnn(CCCO)n1.
What is the InChIKey of 3-[5-(2-aminoethyl)tetrazol-2-yl]propan-1-ol?
The InChIKey is WEEBBGSKZRNHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O/c7-3-2-6-8-10-11(9-6)4-1-5-12/h12H,1-5,7H2.
What are the key properties of 3-[5-(2-aminoethyl)tetrazol-2-yl]propan-1-ol?
3-[5-(2-aminoethyl)tetrazol-2-yl]propan-1-ol has a molecular weight of 171.20 g/mol, XLogP of -1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-aminoethyl)tetrazol-2-yl]propan-1-ol is sourced from PubChem (CID 57466832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).