1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea

C13H18N6O2 — CID 94815212

IUPAC1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
SMILESCC[C@@](C)(O)CNC(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H18N6O2/c1-3-13(2,21)7-16-12(20)18-10-4-5-11(15-6-10)19-9-14-8-17-19/h4-6,8-9,21H,3,7H2,1-2H3,(H2,16,18,20)/t13-/m1/s1
InChIKeyOXIMTMATINOKMT-CYBMUJFWSA-N
MW290.33 g/mol
LogP0.94
Rot. Bonds5

About 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea

1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea (PubChem CID 94815212) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
PubChem CID94815212
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
SMILESCC[C@@](C)(O)CNC(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H18N6O2/c1-3-13(2,21)7-16-12(20)18-10-4-5-11(15-6-10)19-9-14-8-17-19/h4-6,8-9,21H,3,7H2,1-2H3,(H2,16,18,20)/t13-/m1/s1
InChIKeyOXIMTMATINOKMT-CYBMUJFWSA-N
XLogP0.94
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea with MolForge

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Related Compounds

1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 95156925
3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 62669805
2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 79195681
3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 62839172
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 94166826
N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62951127
5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid
CID 60941239
1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea
CID 94799282
1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 47040627
1-[1-(furan-2-yl)ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 47040652
1-(4-chlorophenyl)-3-[(2R)-2-hydroxy-2-methylbutyl]urea
CID 94797935
1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 75461242

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea (CID 94815212) is 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea is CC[C@@](C)(O)CNC(=O)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
The InChIKey is OXIMTMATINOKMT-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-3-13(2,21)7-16-12(20)18-10-4-5-11(15-6-10)19-9-14-8-17-19/h4-6,8-9,21H,3,7H2,1-2H3,(H2,16,18,20)/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea has a molecular weight of 290.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea is sourced from PubChem (CID 94815212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).