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

C9H12N4O — CID 84663979

IUPAC3-amino-3-(triazolo[1,5-a]pyridin-3-yl)propan-1-ol
SMILESNC(CCO)c1nnn2ccccc12
InChIInChI=1S/C9H12N4O/c10-7(4-6-14)9-8-3-1-2-5-13(8)12-11-9/h1-3,5,7,14H,4,6,10H2
InChIKeyCGYCURHXAVKBLX-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.11
Rot. Bonds3

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

3-amino-3-(triazolo[1,5-a]pyridin-3-yl)propan-1-ol (PubChem CID 84663979) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-amino-3-(triazolo[1,5-a]pyridin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(triazolo[1,5-a]pyridin-3-yl)propan-1-ol
PubChem CID84663979
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name3-amino-3-(triazolo[1,5-a]pyridin-3-yl)propan-1-ol
SMILESNC(CCO)c1nnn2ccccc12
InChIInChI=1S/C9H12N4O/c10-7(4-6-14)9-8-3-1-2-5-13(8)12-11-9/h1-3,5,7,14H,4,6,10H2
InChIKeyCGYCURHXAVKBLX-UHFFFAOYSA-N
XLogP0.11
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(triazolo[1,5-a]pyridin-3-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(triazolo[1,5-a]pyridin-3-yl)propan-1-ol (CID 84663979) is 3-amino-3-(triazolo[1,5-a]pyridin-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(triazolo[1,5-a]pyridin-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(triazolo[1,5-a]pyridin-3-yl)propan-1-ol is NC(CCO)c1nnn2ccccc12.
What is the InChIKey of 3-amino-3-(triazolo[1,5-a]pyridin-3-yl)propan-1-ol?
The InChIKey is CGYCURHXAVKBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-7(4-6-14)9-8-3-1-2-5-13(8)12-11-9/h1-3,5,7,14H,4,6,10H2.
What are the key properties of 3-amino-3-(triazolo[1,5-a]pyridin-3-yl)propan-1-ol?
3-amino-3-(triazolo[1,5-a]pyridin-3-yl)propan-1-ol has a molecular weight of 192.22 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(triazolo[1,5-a]pyridin-3-yl)propan-1-ol is sourced from PubChem (CID 84663979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).