1-(5,7-dipyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethylurea

C19H17N7O — CID 44571861

IUPAC1-(5,7-dipyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethylurea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cccnc3)n2n1
InChIInChI=1S/C19H17N7O/c1-2-22-19(27)24-18-23-17-10-15(13-5-3-7-20-11-13)9-16(26(17)25-18)14-6-4-8-21-12-14/h3-12H,2H2,1H3,(H2,22,24,25,27)
InChIKeyHCPBCPRBVAIFLZ-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.99
Rot. Bonds4

About 1-(5,7-dipyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethylurea

1-(5,7-dipyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethylurea (PubChem CID 44571861) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-(5,7-dipyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethylurea.

Molecular Properties

Compound Name1-(5,7-dipyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethylurea
PubChem CID44571861
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name1-(5,7-dipyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethylurea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cccnc3)n2n1
InChIInChI=1S/C19H17N7O/c1-2-22-19(27)24-18-23-17-10-15(13-5-3-7-20-11-13)9-16(26(17)25-18)14-6-4-8-21-12-14/h3-12H,2H2,1H3,(H2,22,24,25,27)
InChIKeyHCPBCPRBVAIFLZ-UHFFFAOYSA-N
XLogP2.99
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dipyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethylurea?
The IUPAC name of 1-(5,7-dipyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethylurea (CID 44571861) is 1-(5,7-dipyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethylurea.
What is the SMILES notation for 1-(5,7-dipyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethylurea?
The canonical SMILES for 1-(5,7-dipyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethylurea is CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cccnc3)n2n1.
What is the InChIKey of 1-(5,7-dipyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethylurea?
The InChIKey is HCPBCPRBVAIFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-2-22-19(27)24-18-23-17-10-15(13-5-3-7-20-11-13)9-16(26(17)25-18)14-6-4-8-21-12-14/h3-12H,2H2,1H3,(H2,22,24,25,27).
What are the key properties of 1-(5,7-dipyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethylurea?
1-(5,7-dipyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethylurea has a molecular weight of 359.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dipyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethylurea is sourced from PubChem (CID 44571861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).