1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea

C18H26N6O2 — CID 126776837

IUPAC1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
SMILESCCCOc1ccc(CNC(=O)NC(C)c2nnc3n2CCCC3)cn1
InChIInChI=1S/C18H26N6O2/c1-3-10-26-16-8-7-14(11-19-16)12-20-18(25)21-13(2)17-23-22-15-6-4-5-9-24(15)17/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H2,20,21,25)
InChIKeyCOOHBKHGUCZVKU-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.36
Rot. Bonds7

About 1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea

1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea (PubChem CID 126776837) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
PubChem CID126776837
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
SMILESCCCOc1ccc(CNC(=O)NC(C)c2nnc3n2CCCC3)cn1
InChIInChI=1S/C18H26N6O2/c1-3-10-26-16-8-7-14(11-19-16)12-20-18(25)21-13(2)17-23-22-15-6-4-5-9-24(15)17/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H2,20,21,25)
InChIKeyCOOHBKHGUCZVKU-UHFFFAOYSA-N
XLogP2.36
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea with MolForge

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Related Compounds

4-[[[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]carbamoylamino]methyl]benzoic acid
CID 122000917
1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(6-propoxy-3-pyridinyl)methyl]urea
CID 95616355
(2R)-N-[(4-fluorophenyl)methyl]-2-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide
CID 97089766
1-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 94114303
(3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 95760901
1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea
CID 127266062
N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]hexanamide
CID 94069831
(2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 120636109
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(4-propoxyphenyl)methyl]urea
CID 51084332
1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea
CID 154764880
3-(2-chlorophenoxy)-N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide
CID 94024435
3,4-dipropoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)benzamide
CID 51266321

Frequently Asked Questions

What is the IUPAC name of 1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
The IUPAC name of 1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea (CID 126776837) is 1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
The canonical SMILES for 1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea is CCCOc1ccc(CNC(=O)NC(C)c2nnc3n2CCCC3)cn1.
What is the InChIKey of 1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
The InChIKey is COOHBKHGUCZVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-3-10-26-16-8-7-14(11-19-16)12-20-18(25)21-13(2)17-23-22-15-6-4-5-9-24(15)17/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea has a molecular weight of 358.45 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea is sourced from PubChem (CID 126776837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).