1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

C15H27N5O2 — CID 75457865

IUPAC1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCC(O)CN(C(=O)NC(C)c1nncn1C)C1CCCCC1
InChIInChI=1S/C15H27N5O2/c1-11(21)9-20(13-7-5-4-6-8-13)15(22)17-12(2)14-18-16-10-19(14)3/h10-13,21H,4-9H2,1-3H3,(H,17,22)
InChIKeyQQXXCGXFBNNPKC-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.60
Rot. Bonds5

About 1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 75457865) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID75457865
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCC(O)CN(C(=O)NC(C)c1nncn1C)C1CCCCC1
InChIInChI=1S/C15H27N5O2/c1-11(21)9-20(13-7-5-4-6-8-13)15(22)17-12(2)14-18-16-10-19(14)3/h10-13,21H,4-9H2,1-3H3,(H,17,22)
InChIKeyQQXXCGXFBNNPKC-UHFFFAOYSA-N
XLogP1.60
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94119972
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64817909
2-[2-methylpropyl-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]acetic acid
CID 63065984
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide
CID 43706300
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea
CID 71848247
5-amino-1-cyclohexyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 75397486
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
CID 43703015
2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62118143
1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94120017
1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 99640495
1-tert-butyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 115585810
1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95130552

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 75457865) is 1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is CC(O)CN(C(=O)NC(C)c1nncn1C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is QQXXCGXFBNNPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-11(21)9-20(13-7-5-4-6-8-13)15(22)17-12(2)14-18-16-10-19(14)3/h10-13,21H,4-9H2,1-3H3,(H,17,22).
What are the key properties of 1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 309.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 75457865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).