1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea

C10H19N5O2 — CID 75435258

IUPAC1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea
SMILESCC(C)CC(CO)NC(=O)Nc1ncnn1C
InChIInChI=1S/C10H19N5O2/c1-7(2)4-8(5-16)13-10(17)14-9-11-6-12-15(9)3/h6-8,16H,4-5H2,1-3H3,(H2,11,12,13,14,17)
InChIKeyDIQLXDONGCIUAS-UHFFFAOYSA-N
MW241.30 g/mol
LogP0.34
Rot. Bonds5

About 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea

1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea (PubChem CID 75435258) has the molecular formula C10H19N5O2 and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea
PubChem CID75435258
Molecular FormulaC10H19N5O2
Molecular Weight241.30 g/mol
Exact Mass241.15
IUPAC Name1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea
SMILESCC(C)CC(CO)NC(=O)Nc1ncnn1C
InChIInChI=1S/C10H19N5O2/c1-7(2)4-8(5-16)13-10(17)14-9-11-6-12-15(9)3/h6-8,16H,4-5H2,1-3H3,(H2,11,12,13,14,17)
InChIKeyDIQLXDONGCIUAS-UHFFFAOYSA-N
XLogP0.34
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 111475816
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea
CID 95629506
N-(2-methyl-1,2,4-triazol-3-yl)acetamide
CID 119096873
1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424877
2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]pentanoic acid
CID 104686854
(2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 107831031
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(5-methyl-1,3-oxazol-2-yl)urea
CID 95786606
1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 130667068
N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 61246953
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 95629512
1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea
CID 61246689
1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 111424876

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea (CID 75435258) is 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea is CC(C)CC(CO)NC(=O)Nc1ncnn1C.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The InChIKey is DIQLXDONGCIUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-7(2)4-8(5-16)13-10(17)14-9-11-6-12-15(9)3/h6-8,16H,4-5H2,1-3H3,(H2,11,12,13,14,17).
What are the key properties of 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea?
1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea has a molecular weight of 241.30 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 75435258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).