1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(1,5-dimethyltriazol-4-yl)urea

C14H25N5O2 — CID 128796050

IUPAC1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(1,5-dimethyltriazol-4-yl)urea
SMILESCc1c(NC(=O)NC(C)(CO)C2CCCCC2)nnn1C
InChIInChI=1S/C14H25N5O2/c1-10-12(17-18-19(10)3)15-13(21)16-14(2,9-20)11-7-5-4-6-8-11/h11,20H,4-9H2,1-3H3,(H2,15,16,21)
InChIKeyWHAUNJJORMVYTQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.58
Rot. Bonds4

About 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(1,5-dimethyltriazol-4-yl)urea

1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(1,5-dimethyltriazol-4-yl)urea (PubChem CID 128796050) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(1,5-dimethyltriazol-4-yl)urea.

Molecular Properties

Compound Name1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(1,5-dimethyltriazol-4-yl)urea
PubChem CID128796050
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(1,5-dimethyltriazol-4-yl)urea
SMILESCc1c(NC(=O)NC(C)(CO)C2CCCCC2)nnn1C
InChIInChI=1S/C14H25N5O2/c1-10-12(17-18-19(10)3)15-13(21)16-14(2,9-20)11-7-5-4-6-8-11/h11,20H,4-9H2,1-3H3,(H2,15,16,21)
InChIKeyWHAUNJJORMVYTQ-UHFFFAOYSA-N
XLogP1.58
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(1,5-dimethyltriazol-4-yl)urea?
The IUPAC name of 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(1,5-dimethyltriazol-4-yl)urea (CID 128796050) is 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(1,5-dimethyltriazol-4-yl)urea.
What is the SMILES notation for 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(1,5-dimethyltriazol-4-yl)urea?
The canonical SMILES for 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(1,5-dimethyltriazol-4-yl)urea is Cc1c(NC(=O)NC(C)(CO)C2CCCCC2)nnn1C.
What is the InChIKey of 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(1,5-dimethyltriazol-4-yl)urea?
The InChIKey is WHAUNJJORMVYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-10-12(17-18-19(10)3)15-13(21)16-14(2,9-20)11-7-5-4-6-8-11/h11,20H,4-9H2,1-3H3,(H2,15,16,21).
What are the key properties of 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(1,5-dimethyltriazol-4-yl)urea?
1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(1,5-dimethyltriazol-4-yl)urea has a molecular weight of 295.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(1,5-dimethyltriazol-4-yl)urea is sourced from PubChem (CID 128796050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).