2-N-(1H-indazol-6-yl)-5-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen

C18H21N7O — CID 161420234

IUPAC2-N-(1H-indazol-6-yl)-5-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen
SMILES[H][H].c1cc(NC2CCOCC2)n2nc(Nc3ccc4cn[nH]c4c3)nc2c1
InChIInChI=1S/C18H19N7O.H2/c1-2-16(20-13-6-8-26-9-7-13)25-17(3-1)22-18(24-25)21-14-5-4-12-11-19-23-15(12)10-14;/h1-5,10-11,13,20H,6-9H2,(H,19,23)(H,21,24);1H
InChIKeyVWQAZEWKJFASCD-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.19
Rot. Bonds4

About 2-N-(1H-indazol-6-yl)-5-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen

2-N-(1H-indazol-6-yl)-5-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen (PubChem CID 161420234) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-N-(1H-indazol-6-yl)-5-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen.

Molecular Properties

Compound Name2-N-(1H-indazol-6-yl)-5-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen
PubChem CID161420234
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name2-N-(1H-indazol-6-yl)-5-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen
SMILES[H][H].c1cc(NC2CCOCC2)n2nc(Nc3ccc4cn[nH]c4c3)nc2c1
InChIInChI=1S/C18H19N7O.H2/c1-2-16(20-13-6-8-26-9-7-13)25-17(3-1)22-18(24-25)21-14-5-4-12-11-19-23-15(12)10-14;/h1-5,10-11,13,20H,6-9H2,(H,19,23)(H,21,24);1H
InChIKeyVWQAZEWKJFASCD-UHFFFAOYSA-N
XLogP3.19
TPSA92.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-indazol-6-yl)-5-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen?
The IUPAC name of 2-N-(1H-indazol-6-yl)-5-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen (CID 161420234) is 2-N-(1H-indazol-6-yl)-5-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen.
What is the SMILES notation for 2-N-(1H-indazol-6-yl)-5-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen?
The canonical SMILES for 2-N-(1H-indazol-6-yl)-5-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen is [H][H].c1cc(NC2CCOCC2)n2nc(Nc3ccc4cn[nH]c4c3)nc2c1.
What is the InChIKey of 2-N-(1H-indazol-6-yl)-5-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen?
The InChIKey is VWQAZEWKJFASCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O.H2/c1-2-16(20-13-6-8-26-9-7-13)25-17(3-1)22-18(24-25)21-14-5-4-12-11-19-23-15(12)10-14;/h1-5,10-11,13,20H,6-9H2,(H,19,23)(H,21,24);1H.
What are the key properties of 2-N-(1H-indazol-6-yl)-5-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen?
2-N-(1H-indazol-6-yl)-5-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen has a molecular weight of 351.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-indazol-6-yl)-5-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen is sourced from PubChem (CID 161420234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).