3-amino-3-(tetrazolo[1,5-a]pyridin-5-yl)propan-1-ol

C8H11N5O — CID 83830313

IUPAC3-amino-3-(tetrazolo[1,5-a]pyridin-5-yl)propan-1-ol
SMILESNC(CCO)c1cccc2nnnn12
InChIInChI=1S/C8H11N5O/c9-6(4-5-14)7-2-1-3-8-10-11-12-13(7)8/h1-3,6,14H,4-5,9H2
InChIKeyHGARJQHOHBBMMA-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.49
Rot. Bonds3

About 3-amino-3-(tetrazolo[1,5-a]pyridin-5-yl)propan-1-ol

3-amino-3-(tetrazolo[1,5-a]pyridin-5-yl)propan-1-ol (PubChem CID 83830313) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-amino-3-(tetrazolo[1,5-a]pyridin-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(tetrazolo[1,5-a]pyridin-5-yl)propan-1-ol
PubChem CID83830313
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name3-amino-3-(tetrazolo[1,5-a]pyridin-5-yl)propan-1-ol
SMILESNC(CCO)c1cccc2nnnn12
InChIInChI=1S/C8H11N5O/c9-6(4-5-14)7-2-1-3-8-10-11-12-13(7)8/h1-3,6,14H,4-5,9H2
InChIKeyHGARJQHOHBBMMA-UHFFFAOYSA-N
XLogP-0.49
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(tetrazolo[1,5-a]pyridin-5-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(tetrazolo[1,5-a]pyridin-5-yl)propan-1-ol (CID 83830313) is 3-amino-3-(tetrazolo[1,5-a]pyridin-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(tetrazolo[1,5-a]pyridin-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(tetrazolo[1,5-a]pyridin-5-yl)propan-1-ol is NC(CCO)c1cccc2nnnn12.
What is the InChIKey of 3-amino-3-(tetrazolo[1,5-a]pyridin-5-yl)propan-1-ol?
The InChIKey is HGARJQHOHBBMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c9-6(4-5-14)7-2-1-3-8-10-11-12-13(7)8/h1-3,6,14H,4-5,9H2.
What are the key properties of 3-amino-3-(tetrazolo[1,5-a]pyridin-5-yl)propan-1-ol?
3-amino-3-(tetrazolo[1,5-a]pyridin-5-yl)propan-1-ol has a molecular weight of 193.21 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(tetrazolo[1,5-a]pyridin-5-yl)propan-1-ol is sourced from PubChem (CID 83830313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).