4-[5-(propylamino)triazolo[4,5-b]pyridin-3-yl]phenol

C14H15N5O — CID 57403843

IUPAC4-[5-(propylamino)triazolo[4,5-b]pyridin-3-yl]phenol
SMILESCCCNc1ccc2nnn(-c3ccc(O)cc3)c2n1
InChIInChI=1S/C14H15N5O/c1-2-9-15-13-8-7-12-14(16-13)19(18-17-12)10-3-5-11(20)6-4-10/h3-8,20H,2,9H2,1H3,(H,15,16)
InChIKeyHQKXGZQMAPOLNF-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.34
Rot. Bonds4

About 4-[5-(propylamino)triazolo[4,5-b]pyridin-3-yl]phenol

4-[5-(propylamino)triazolo[4,5-b]pyridin-3-yl]phenol (PubChem CID 57403843) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-[5-(propylamino)triazolo[4,5-b]pyridin-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(propylamino)triazolo[4,5-b]pyridin-3-yl]phenol
PubChem CID57403843
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-[5-(propylamino)triazolo[4,5-b]pyridin-3-yl]phenol
SMILESCCCNc1ccc2nnn(-c3ccc(O)cc3)c2n1
InChIInChI=1S/C14H15N5O/c1-2-9-15-13-8-7-12-14(16-13)19(18-17-12)10-3-5-11(20)6-4-10/h3-8,20H,2,9H2,1H3,(H,15,16)
InChIKeyHQKXGZQMAPOLNF-UHFFFAOYSA-N
XLogP2.34
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(propylamino)triazolo[4,5-b]pyridin-3-yl]phenol?
The IUPAC name of 4-[5-(propylamino)triazolo[4,5-b]pyridin-3-yl]phenol (CID 57403843) is 4-[5-(propylamino)triazolo[4,5-b]pyridin-3-yl]phenol.
What is the SMILES notation for 4-[5-(propylamino)triazolo[4,5-b]pyridin-3-yl]phenol?
The canonical SMILES for 4-[5-(propylamino)triazolo[4,5-b]pyridin-3-yl]phenol is CCCNc1ccc2nnn(-c3ccc(O)cc3)c2n1.
What is the InChIKey of 4-[5-(propylamino)triazolo[4,5-b]pyridin-3-yl]phenol?
The InChIKey is HQKXGZQMAPOLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-9-15-13-8-7-12-14(16-13)19(18-17-12)10-3-5-11(20)6-4-10/h3-8,20H,2,9H2,1H3,(H,15,16).
What are the key properties of 4-[5-(propylamino)triazolo[4,5-b]pyridin-3-yl]phenol?
4-[5-(propylamino)triazolo[4,5-b]pyridin-3-yl]phenol has a molecular weight of 269.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(propylamino)triazolo[4,5-b]pyridin-3-yl]phenol is sourced from PubChem (CID 57403843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).