1-cyclohexyl-3-[2-(2H-tetrazol-5-yl)ethyl]urea

C10H18N6O — CID 20624503

IUPAC1-cyclohexyl-3-[2-(2H-tetrazol-5-yl)ethyl]urea
SMILESO=C(NCCc1nn[nH]n1)NC1CCCCC1
InChIInChI=1S/C10H18N6O/c17-10(12-8-4-2-1-3-5-8)11-7-6-9-13-15-16-14-9/h8H,1-7H2,(H2,11,12,17)(H,13,14,15,16)
InChIKeySUTAMMYGFYGXPH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.37
Rot. Bonds4

About 1-cyclohexyl-3-[2-(2H-tetrazol-5-yl)ethyl]urea

1-cyclohexyl-3-[2-(2H-tetrazol-5-yl)ethyl]urea (PubChem CID 20624503) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(2H-tetrazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(2H-tetrazol-5-yl)ethyl]urea
PubChem CID20624503
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name1-cyclohexyl-3-[2-(2H-tetrazol-5-yl)ethyl]urea
SMILESO=C(NCCc1nn[nH]n1)NC1CCCCC1
InChIInChI=1S/C10H18N6O/c17-10(12-8-4-2-1-3-5-8)11-7-6-9-13-15-16-14-9/h8H,1-7H2,(H2,11,12,17)(H,13,14,15,16)
InChIKeySUTAMMYGFYGXPH-UHFFFAOYSA-N
XLogP0.37
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(2H-tetrazol-5-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(2H-tetrazol-5-yl)ethyl]urea (CID 20624503) is 1-cyclohexyl-3-[2-(2H-tetrazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(2H-tetrazol-5-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(2H-tetrazol-5-yl)ethyl]urea is O=C(NCCc1nn[nH]n1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(2H-tetrazol-5-yl)ethyl]urea?
The InChIKey is SUTAMMYGFYGXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c17-10(12-8-4-2-1-3-5-8)11-7-6-9-13-15-16-14-9/h8H,1-7H2,(H2,11,12,17)(H,13,14,15,16).
What are the key properties of 1-cyclohexyl-3-[2-(2H-tetrazol-5-yl)ethyl]urea?
1-cyclohexyl-3-[2-(2H-tetrazol-5-yl)ethyl]urea has a molecular weight of 238.29 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(2H-tetrazol-5-yl)ethyl]urea is sourced from PubChem (CID 20624503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).