1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea

C15H20N6O2 — CID 75425430

IUPAC1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
SMILESCC(c1ccco1)N(C(=O)NCc1nnnn1C1CC1)C1CC1
InChIInChI=1S/C15H20N6O2/c1-10(13-3-2-8-23-13)20(11-4-5-11)15(22)16-9-14-17-18-19-21(14)12-6-7-12/h2-3,8,10-12H,4-7,9H2,1H3,(H,16,22)
InChIKeyUZDJMCYLOHKRTF-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.04
Rot. Bonds6

About 1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea

1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea (PubChem CID 75425430) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
PubChem CID75425430
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
SMILESCC(c1ccco1)N(C(=O)NCc1nnnn1C1CC1)C1CC1
InChIInChI=1S/C15H20N6O2/c1-10(13-3-2-8-23-13)20(11-4-5-11)15(22)16-9-14-17-18-19-21(14)12-6-7-12/h2-3,8,10-12H,4-7,9H2,1H3,(H,16,22)
InChIKeyUZDJMCYLOHKRTF-UHFFFAOYSA-N
XLogP2.04
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea (CID 75425430) is 1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea is CC(c1ccco1)N(C(=O)NCc1nnnn1C1CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea?
The InChIKey is UZDJMCYLOHKRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10(13-3-2-8-23-13)20(11-4-5-11)15(22)16-9-14-17-18-19-21(14)12-6-7-12/h2-3,8,10-12H,4-7,9H2,1H3,(H,16,22).
What are the key properties of 1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea?
1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea has a molecular weight of 316.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 75425430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).