3-[[4-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)propyl]pyrazol-1-yl]methyl]phenol

C18H19N7O — CID 130431147

IUPAC3-[[4-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)propyl]pyrazol-1-yl]methyl]phenol
SMILESCCC(c1cnn(Cc2cccc(O)c2)c1)c1cc(N)nc2n[nH]nc12
InChIInChI=1S/C18H19N7O/c1-2-14(15-7-16(19)21-18-17(15)22-24-23-18)12-8-20-25(10-12)9-11-4-3-5-13(26)6-11/h3-8,10,14,26H,2,9H2,1H3,(H3,19,21,22,23,24)
InChIKeyAUJGLYIPVSEZAR-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.43
Rot. Bonds5

About 3-[[4-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)propyl]pyrazol-1-yl]methyl]phenol

3-[[4-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)propyl]pyrazol-1-yl]methyl]phenol (PubChem CID 130431147) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 3-[[4-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)propyl]pyrazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)propyl]pyrazol-1-yl]methyl]phenol
PubChem CID130431147
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name3-[[4-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)propyl]pyrazol-1-yl]methyl]phenol
SMILESCCC(c1cnn(Cc2cccc(O)c2)c1)c1cc(N)nc2n[nH]nc12
InChIInChI=1S/C18H19N7O/c1-2-14(15-7-16(19)21-18-17(15)22-24-23-18)12-8-20-25(10-12)9-11-4-3-5-13(26)6-11/h3-8,10,14,26H,2,9H2,1H3,(H3,19,21,22,23,24)
InChIKeyAUJGLYIPVSEZAR-UHFFFAOYSA-N
XLogP2.43
TPSA118.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)propyl]pyrazol-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)propyl]pyrazol-1-yl]methyl]phenol (CID 130431147) is 3-[[4-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)propyl]pyrazol-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)propyl]pyrazol-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)propyl]pyrazol-1-yl]methyl]phenol is CCC(c1cnn(Cc2cccc(O)c2)c1)c1cc(N)nc2n[nH]nc12.
What is the InChIKey of 3-[[4-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)propyl]pyrazol-1-yl]methyl]phenol?
The InChIKey is AUJGLYIPVSEZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-2-14(15-7-16(19)21-18-17(15)22-24-23-18)12-8-20-25(10-12)9-11-4-3-5-13(26)6-11/h3-8,10,14,26H,2,9H2,1H3,(H3,19,21,22,23,24).
What are the key properties of 3-[[4-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)propyl]pyrazol-1-yl]methyl]phenol?
3-[[4-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)propyl]pyrazol-1-yl]methyl]phenol has a molecular weight of 349.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)propyl]pyrazol-1-yl]methyl]phenol is sourced from PubChem (CID 130431147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).