3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol

C10H14N4O — CID 117143189

IUPAC3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
SMILESNCc1ccn2c(CCCO)nnc2c1
InChIInChI=1S/C10H14N4O/c11-7-8-3-4-14-9(2-1-5-15)12-13-10(14)6-8/h3-4,6,15H,1-2,5,7,11H2
InChIKeyFPOQILTVVMRZRT-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.11
Rot. Bonds4

About 3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol

3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol (PubChem CID 117143189) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
PubChem CID117143189
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
SMILESNCc1ccn2c(CCCO)nnc2c1
InChIInChI=1S/C10H14N4O/c11-7-8-3-4-14-9(2-1-5-15)12-13-10(14)6-8/h3-4,6,15H,1-2,5,7,11H2
InChIKeyFPOQILTVVMRZRT-UHFFFAOYSA-N
XLogP0.11
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
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-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol?
The IUPAC name of 3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol (CID 117143189) is 3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol?
The canonical SMILES for 3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol is NCc1ccn2c(CCCO)nnc2c1.
What is the InChIKey of 3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol?
The InChIKey is FPOQILTVVMRZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-7-8-3-4-14-9(2-1-5-15)12-13-10(14)6-8/h3-4,6,15H,1-2,5,7,11H2.
What are the key properties of 3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol?
3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol has a molecular weight of 206.25 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol is sourced from PubChem (CID 117143189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).