1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea

C10H19N5O2 — CID 110911522

IUPAC1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
SMILESCCC(CO)NC(=O)NC(C)Cn1cncn1
InChIInChI=1S/C10H19N5O2/c1-3-9(5-16)14-10(17)13-8(2)4-15-7-11-6-12-15/h6-9,16H,3-5H2,1-2H3,(H2,13,14,17)
InChIKeyGQYZHFSQEKJLEP-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.26
Rot. Bonds6

About 1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea

1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea (PubChem CID 110911522) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
PubChem CID110911522
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
SMILESCCC(CO)NC(=O)NC(C)Cn1cncn1
InChIInChI=1S/C10H19N5O2/c1-3-9(5-16)14-10(17)13-8(2)4-15-7-11-6-12-15/h6-9,16H,3-5H2,1-2H3,(H2,13,14,17)
InChIKeyGQYZHFSQEKJLEP-UHFFFAOYSA-N
XLogP-0.26
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43419282
1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 71870194
N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide
CID 95207497
1-(2-hydroxy-2,5-dimethylhexyl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 111455045
N-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 115735088
1-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 96518673
1-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 29023480
1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
CID 75461996
cyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate
CID 124507477
1-(1-ethyl-2-methylindol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 125174038
1-[2-(2,5-difluorophenyl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea (CID 110911522) is 1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea is CCC(CO)NC(=O)NC(C)Cn1cncn1.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The InChIKey is GQYZHFSQEKJLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-3-9(5-16)14-10(17)13-8(2)4-15-7-11-6-12-15/h6-9,16H,3-5H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea has a molecular weight of 241.29 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea is sourced from PubChem (CID 110911522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).