1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea

C15H21N5O2 — CID 111969731

IUPAC1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea
SMILESCC(O)CN(C(=O)Nc1ccc(-n2ccnn2)cc1)C(C)C
InChIInChI=1S/C15H21N5O2/c1-11(2)19(10-12(3)21)15(22)17-13-4-6-14(7-5-13)20-9-8-16-18-20/h4-9,11-12,21H,10H2,1-3H3,(H,17,22)
InChIKeyUOEHKXFSDCYDAE-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.89
Rot. Bonds5

About 1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea

1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea (PubChem CID 111969731) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea
PubChem CID111969731
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea
SMILESCC(O)CN(C(=O)Nc1ccc(-n2ccnn2)cc1)C(C)C
InChIInChI=1S/C15H21N5O2/c1-11(2)19(10-12(3)21)15(22)17-13-4-6-14(7-5-13)20-9-8-16-18-20/h4-9,11-12,21H,10H2,1-3H3,(H,17,22)
InChIKeyUOEHKXFSDCYDAE-UHFFFAOYSA-N
XLogP1.89
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[methyl-[[4-(triazol-1-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122078901
3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111112642
1-(2-hydroxypropyl)-3-(4-methylsulfinylphenyl)-1-propan-2-ylurea
CID 111969781
1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea
CID 111754632
1-(2-hydroxypropyl)-3-[4-(methylsulfanylmethyl)phenyl]-1-propan-2-ylurea
CID 111969735
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(triazol-1-yl)phenyl]urea
CID 109397030
1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea
CID 111969776
3-piperidin-4-yl-N-[4-(triazol-1-yl)phenyl]butanamide
CID 119762393
tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate
CID 67962185
1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea
CID 71861224
1-(2,2-diethoxyethyl)-3-[4-(triazol-1-yl)phenyl]urea
CID 10519663
3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111969725

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea?
The IUPAC name of 1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea (CID 111969731) is 1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea is CC(O)CN(C(=O)Nc1ccc(-n2ccnn2)cc1)C(C)C.
What is the InChIKey of 1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea?
The InChIKey is UOEHKXFSDCYDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11(2)19(10-12(3)21)15(22)17-13-4-6-14(7-5-13)20-9-8-16-18-20/h4-9,11-12,21H,10H2,1-3H3,(H,17,22).
What are the key properties of 1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea?
1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea has a molecular weight of 303.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea is sourced from PubChem (CID 111969731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).