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1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

C17H24N6O2 — CID 51084342

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCC(NC(=O)NCc1cccnc1OC1CCCC1)c1nncn1C
InChIInChI=1S/C17H24N6O2/c1-12(15-22-20-11-23(15)2)21-17(24)19-10-13-6-5-9-18-16(13)25-14-7-3-4-8-14/h5-6,9,11-12,14H,3-4,7-8,10H2,1-2H3,(H2,19,21,24)
InChIKeyBQHXEZIBSNUXCT-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.09
Rot. Bonds6

About 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 51084342) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID51084342
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCC(NC(=O)NCc1cccnc1OC1CCCC1)c1nncn1C
InChIInChI=1S/C17H24N6O2/c1-12(15-22-20-11-23(15)2)21-17(24)19-10-13-6-5-9-18-16(13)25-14-7-3-4-8-14/h5-6,9,11-12,14H,3-4,7-8,10H2,1-2H3,(H2,19,21,24)
InChIKeyBQHXEZIBSNUXCT-UHFFFAOYSA-N
XLogP2.09
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 51084342) is 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is CC(NC(=O)NCc1cccnc1OC1CCCC1)c1nncn1C.
What is the InChIKey of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is BQHXEZIBSNUXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12(15-22-20-11-23(15)2)21-17(24)19-10-13-6-5-9-18-16(13)25-14-7-3-4-8-14/h5-6,9,11-12,14H,3-4,7-8,10H2,1-2H3,(H2,19,21,24).
What are the key properties of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 344.42 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 51084342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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