1-cyclopropyl-1-(1-cyclopropylethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea

C18H25N5O2 — CID 75375342

IUPAC1-cyclopropyl-1-(1-cyclopropylethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
SMILESCC(C1CC1)N(C(=O)NCCCn1nc2ccccn2c1=O)C1CC1
InChIInChI=1S/C18H25N5O2/c1-13(14-6-7-14)23(15-8-9-15)17(24)19-10-4-12-22-18(25)21-11-3-2-5-16(21)20-22/h2-3,5,11,13-15H,4,6-10,12H2,1H3,(H,19,24)
InChIKeyAGTFWQHPIVFJBO-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.86
Rot. Bonds7

About 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea

1-cyclopropyl-1-(1-cyclopropylethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea (PubChem CID 75375342) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(1-cyclopropylethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
PubChem CID75375342
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-cyclopropyl-1-(1-cyclopropylethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
SMILESCC(C1CC1)N(C(=O)NCCCn1nc2ccccn2c1=O)C1CC1
InChIInChI=1S/C18H25N5O2/c1-13(14-6-7-14)23(15-8-9-15)17(24)19-10-4-12-22-18(25)21-11-3-2-5-16(21)20-22/h2-3,5,11,13-15H,4,6-10,12H2,1H3,(H,19,24)
InChIKeyAGTFWQHPIVFJBO-UHFFFAOYSA-N
XLogP1.86
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
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-cyclopropyl-1-(1-cyclopropylethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea?
The IUPAC name of 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea (CID 75375342) is 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea is CC(C1CC1)N(C(=O)NCCCn1nc2ccccn2c1=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea?
The InChIKey is AGTFWQHPIVFJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(14-6-7-14)23(15-8-9-15)17(24)19-10-4-12-22-18(25)21-11-3-2-5-16(21)20-22/h2-3,5,11,13-15H,4,6-10,12H2,1H3,(H,19,24).
What are the key properties of 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea?
1-cyclopropyl-1-(1-cyclopropylethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea has a molecular weight of 343.43 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea is sourced from PubChem (CID 75375342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).