1-cyclopentyl-3-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]urea

C16H25N5O2 — CID 91762111

IUPAC1-cyclopentyl-3-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]urea
SMILESO=C(NC1CCCC1)NC1CC(c2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C16H25N5O2/c22-9-14-19-20-15(21(14)13-5-6-13)10-7-12(8-10)18-16(23)17-11-3-1-2-4-11/h10-13,22H,1-9H2,(H2,17,18,23)
InChIKeyJUBTVIXSGKNAKO-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.59
Rot. Bonds5

About 1-cyclopentyl-3-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]urea

1-cyclopentyl-3-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]urea (PubChem CID 91762111) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]urea
PubChem CID91762111
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-cyclopentyl-3-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]urea
SMILESO=C(NC1CCCC1)NC1CC(c2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C16H25N5O2/c22-9-14-19-20-15(21(14)13-5-6-13)10-7-12(8-10)18-16(23)17-11-3-1-2-4-11/h10-13,22H,1-9H2,(H2,17,18,23)
InChIKeyJUBTVIXSGKNAKO-UHFFFAOYSA-N
XLogP1.59
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]urea?
The IUPAC name of 1-cyclopentyl-3-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]urea (CID 91762111) is 1-cyclopentyl-3-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]urea is O=C(NC1CCCC1)NC1CC(c2nnc(CO)n2C2CC2)C1.
What is the InChIKey of 1-cyclopentyl-3-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]urea?
The InChIKey is JUBTVIXSGKNAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c22-9-14-19-20-15(21(14)13-5-6-13)10-7-12(8-10)18-16(23)17-11-3-1-2-4-11/h10-13,22H,1-9H2,(H2,17,18,23).
What are the key properties of 1-cyclopentyl-3-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]urea?
1-cyclopentyl-3-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]urea has a molecular weight of 319.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]urea is sourced from PubChem (CID 91762111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).