1-(2H-benzotriazol-4-yl)-3-cyclopentylurea

C12H15N5O — CID 110748937

IUPAC1-(2H-benzotriazol-4-yl)-3-cyclopentylurea
SMILESO=C(Nc1cccc2n[nH]nc12)NC1CCCC1
InChIInChI=1S/C12H15N5O/c18-12(13-8-4-1-2-5-8)14-9-6-3-7-10-11(9)16-17-15-10/h3,6-8H,1-2,4-5H2,(H2,13,14,18)(H,15,16,17)
InChIKeyLIAMDMYYKPLHOU-UHFFFAOYSA-N
MW245.29 g/mol
LogP2.02
Rot. Bonds2

About 1-(2H-benzotriazol-4-yl)-3-cyclopentylurea

1-(2H-benzotriazol-4-yl)-3-cyclopentylurea (PubChem CID 110748937) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(2H-benzotriazol-4-yl)-3-cyclopentylurea.

Molecular Properties

Compound Name1-(2H-benzotriazol-4-yl)-3-cyclopentylurea
PubChem CID110748937
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-(2H-benzotriazol-4-yl)-3-cyclopentylurea
SMILESO=C(Nc1cccc2n[nH]nc12)NC1CCCC1
InChIInChI=1S/C12H15N5O/c18-12(13-8-4-1-2-5-8)14-9-6-3-7-10-11(9)16-17-15-10/h3,6-8H,1-2,4-5H2,(H2,13,14,18)(H,15,16,17)
InChIKeyLIAMDMYYKPLHOU-UHFFFAOYSA-N
XLogP2.02
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-benzotriazol-4-yl)-3-cyclopentylurea?
The IUPAC name of 1-(2H-benzotriazol-4-yl)-3-cyclopentylurea (CID 110748937) is 1-(2H-benzotriazol-4-yl)-3-cyclopentylurea.
What is the SMILES notation for 1-(2H-benzotriazol-4-yl)-3-cyclopentylurea?
The canonical SMILES for 1-(2H-benzotriazol-4-yl)-3-cyclopentylurea is O=C(Nc1cccc2n[nH]nc12)NC1CCCC1.
What is the InChIKey of 1-(2H-benzotriazol-4-yl)-3-cyclopentylurea?
The InChIKey is LIAMDMYYKPLHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c18-12(13-8-4-1-2-5-8)14-9-6-3-7-10-11(9)16-17-15-10/h3,6-8H,1-2,4-5H2,(H2,13,14,18)(H,15,16,17).
What are the key properties of 1-(2H-benzotriazol-4-yl)-3-cyclopentylurea?
1-(2H-benzotriazol-4-yl)-3-cyclopentylurea has a molecular weight of 245.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-benzotriazol-4-yl)-3-cyclopentylurea is sourced from PubChem (CID 110748937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).