2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol

C9H12N6O — CID 135376035

IUPAC2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol
SMILESCC(CO)n1nnnc1-c1cccc(N)n1
InChIInChI=1S/C9H12N6O/c1-6(5-16)15-9(12-13-14-15)7-3-2-4-8(10)11-7/h2-4,6,16H,5H2,1H3,(H2,10,11)
InChIKeyBYKWEAXPKUDMBQ-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.13
Rot. Bonds3

About 2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol

2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol (PubChem CID 135376035) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol
PubChem CID135376035
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol
SMILESCC(CO)n1nnnc1-c1cccc(N)n1
InChIInChI=1S/C9H12N6O/c1-6(5-16)15-9(12-13-14-15)7-3-2-4-8(10)11-7/h2-4,6,16H,5H2,1H3,(H2,10,11)
InChIKeyBYKWEAXPKUDMBQ-UHFFFAOYSA-N
XLogP-0.13
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol?
The IUPAC name of 2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol (CID 135376035) is 2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol.
What is the SMILES notation for 2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol?
The canonical SMILES for 2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol is CC(CO)n1nnnc1-c1cccc(N)n1.
What is the InChIKey of 2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol?
The InChIKey is BYKWEAXPKUDMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-6(5-16)15-9(12-13-14-15)7-3-2-4-8(10)11-7/h2-4,6,16H,5H2,1H3,(H2,10,11).
What are the key properties of 2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol?
2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol has a molecular weight of 220.24 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol is sourced from PubChem (CID 135376035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).