4-[[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol

C14H18N4O — CID 82568010

IUPAC4-[[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol
SMILESNCC1CCn2nc(Cc3ccc(O)cc3)nc2C1
InChIInChI=1S/C14H18N4O/c15-9-11-5-6-18-14(8-11)16-13(17-18)7-10-1-3-12(19)4-2-10/h1-4,11,19H,5-9,15H2
InChIKeyLDNKPPMZCKIDJH-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.10
Rot. Bonds3

About 4-[[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol

4-[[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol (PubChem CID 82568010) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol
PubChem CID82568010
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol
SMILESNCC1CCn2nc(Cc3ccc(O)cc3)nc2C1
InChIInChI=1S/C14H18N4O/c15-9-11-5-6-18-14(8-11)16-13(17-18)7-10-1-3-12(19)4-2-10/h1-4,11,19H,5-9,15H2
InChIKeyLDNKPPMZCKIDJH-UHFFFAOYSA-N
XLogP1.10
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol?
The IUPAC name of 4-[[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol (CID 82568010) is 4-[[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol.
What is the SMILES notation for 4-[[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol?
The canonical SMILES for 4-[[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol is NCC1CCn2nc(Cc3ccc(O)cc3)nc2C1.
What is the InChIKey of 4-[[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol?
The InChIKey is LDNKPPMZCKIDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-9-11-5-6-18-14(8-11)16-13(17-18)7-10-1-3-12(19)4-2-10/h1-4,11,19H,5-9,15H2.
What are the key properties of 4-[[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol?
4-[[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol is sourced from PubChem (CID 82568010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).