[2-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methylurea

C14H23N5O2 — CID 74240676

IUPAC[2-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methylurea
SMILESNC(=O)NCc1nc(C2CCOC2)nn1C1CCCCC1
InChIInChI=1S/C14H23N5O2/c15-14(20)16-8-12-17-13(10-6-7-21-9-10)18-19(12)11-4-2-1-3-5-11/h10-11H,1-9H2,(H3,15,16,20)
InChIKeyCHAJHJRDKVFJLQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.46
Rot. Bonds4

About [2-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methylurea

[2-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methylurea (PubChem CID 74240676) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [2-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methylurea.

Molecular Properties

Compound Name[2-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methylurea
PubChem CID74240676
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name[2-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methylurea
SMILESNC(=O)NCc1nc(C2CCOC2)nn1C1CCCCC1
InChIInChI=1S/C14H23N5O2/c15-14(20)16-8-12-17-13(10-6-7-21-9-10)18-19(12)11-4-2-1-3-5-11/h10-11H,1-9H2,(H3,15,16,20)
InChIKeyCHAJHJRDKVFJLQ-UHFFFAOYSA-N
XLogP1.46
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methylurea?
The IUPAC name of [2-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methylurea (CID 74240676) is [2-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methylurea.
What is the SMILES notation for [2-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methylurea?
The canonical SMILES for [2-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methylurea is NC(=O)NCc1nc(C2CCOC2)nn1C1CCCCC1.
What is the InChIKey of [2-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methylurea?
The InChIKey is CHAJHJRDKVFJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c15-14(20)16-8-12-17-13(10-6-7-21-9-10)18-19(12)11-4-2-1-3-5-11/h10-11H,1-9H2,(H3,15,16,20).
What are the key properties of [2-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methylurea?
[2-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methylurea has a molecular weight of 293.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methylurea is sourced from PubChem (CID 74240676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).