1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea

C14H19N5O2 — CID 110010397

IUPAC1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
SMILESCc1nc(-c2cccc(NC(=O)N(C)C(C)CO)c2)n[nH]1
InChIInChI=1S/C14H19N5O2/c1-9(8-20)19(3)14(21)16-12-6-4-5-11(7-12)13-15-10(2)17-18-13/h4-7,9,20H,8H2,1-3H3,(H,16,21)(H,15,17,18)
InChIKeyJOVZOLWKFUTHGU-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.62
Rot. Bonds4

About 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea

1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea (PubChem CID 110010397) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
PubChem CID110010397
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
SMILESCc1nc(-c2cccc(NC(=O)N(C)C(C)CO)c2)n[nH]1
InChIInChI=1S/C14H19N5O2/c1-9(8-20)19(3)14(21)16-12-6-4-5-11(7-12)13-15-10(2)17-18-13/h4-7,9,20H,8H2,1-3H3,(H,16,21)(H,15,17,18)
InChIKeyJOVZOLWKFUTHGU-UHFFFAOYSA-N
XLogP1.62
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea with MolForge

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Related Compounds

3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 54862667
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60928392
(2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 61180537
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
1-(1-hydroxy-4-methylpentan-3-yl)-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 111474600
2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride
CID 119298771
2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 168520871
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide
CID 60552910
1-(4-hydroxy-2-methylbutan-2-yl)-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 111926300
2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 131899761

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea (CID 110010397) is 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea is Cc1nc(-c2cccc(NC(=O)N(C)C(C)CO)c2)n[nH]1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea?
The InChIKey is JOVZOLWKFUTHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9(8-20)19(3)14(21)16-12-6-4-5-11(7-12)13-15-10(2)17-18-13/h4-7,9,20H,8H2,1-3H3,(H,16,21)(H,15,17,18).
What are the key properties of 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea?
1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea has a molecular weight of 289.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea is sourced from PubChem (CID 110010397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).