1-(3-ethoxypropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea

C12H17N5O2 — CID 53204463

IUPAC1-(3-ethoxypropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
SMILESCCOCCCNC(=O)Nc1nnc2ccccn12
InChIInChI=1S/C12H17N5O2/c1-2-19-9-5-7-13-12(18)14-11-16-15-10-6-3-4-8-17(10)11/h3-4,6,8H,2,5,7,9H2,1H3,(H2,13,14,16,18)
InChIKeyMQTNLQKXKDRYNY-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.28
Rot. Bonds6

About 1-(3-ethoxypropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea

1-(3-ethoxypropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea (PubChem CID 53204463) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
PubChem CID53204463
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-(3-ethoxypropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
SMILESCCOCCCNC(=O)Nc1nnc2ccccn12
InChIInChI=1S/C12H17N5O2/c1-2-19-9-5-7-13-12(18)14-11-16-15-10-6-3-4-8-17(10)11/h3-4,6,8H,2,5,7,9H2,1H3,(H2,13,14,16,18)
InChIKeyMQTNLQKXKDRYNY-UHFFFAOYSA-N
XLogP1.28
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The IUPAC name of 1-(3-ethoxypropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea (CID 53204463) is 1-(3-ethoxypropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea is CCOCCCNC(=O)Nc1nnc2ccccn12.
What is the InChIKey of 1-(3-ethoxypropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The InChIKey is MQTNLQKXKDRYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-2-19-9-5-7-13-12(18)14-11-16-15-10-6-3-4-8-17(10)11/h3-4,6,8H,2,5,7,9H2,1H3,(H2,13,14,16,18).
What are the key properties of 1-(3-ethoxypropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
1-(3-ethoxypropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea has a molecular weight of 263.30 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea is sourced from PubChem (CID 53204463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).