1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea

C11H17N7O — CID 72905357

IUPAC1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea
SMILESCC(C)n1ccnc1CNC(=O)Nc1cn(C)nn1
InChIInChI=1S/C11H17N7O/c1-8(2)18-5-4-12-10(18)6-13-11(19)14-9-7-17(3)16-15-9/h4-5,7-8H,6H2,1-3H3,(H2,13,14,19)
InChIKeyURXXPDZIDBCUGY-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.91
Rot. Bonds4

About 1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea

1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea (PubChem CID 72905357) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea
PubChem CID72905357
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Name1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea
SMILESCC(C)n1ccnc1CNC(=O)Nc1cn(C)nn1
InChIInChI=1S/C11H17N7O/c1-8(2)18-5-4-12-10(18)6-13-11(19)14-9-7-17(3)16-15-9/h4-5,7-8H,6H2,1-3H3,(H2,13,14,19)
InChIKeyURXXPDZIDBCUGY-UHFFFAOYSA-N
XLogP0.91
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,4-dimethylphenyl)methyl]-3-(1-methyltriazol-4-yl)urea
CID 72867320
2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 125438130
1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea
CID 125162292
1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 131951634
2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 91790838
(2S)-3-methyl-2-[(1-propan-2-ylimidazol-2-yl)methylamino]butan-1-ol
CID 75501743
2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122557442
N-(1-methyltriazol-4-yl)butanamide
CID 130694162
2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 122563881
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 136662014
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 122564351
2-[methyl-[2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]amino]ethanol
CID 122571573

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea (CID 72905357) is 1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea is CC(C)n1ccnc1CNC(=O)Nc1cn(C)nn1.
What is the InChIKey of 1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea?
The InChIKey is URXXPDZIDBCUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-8(2)18-5-4-12-10(18)6-13-11(19)14-9-7-17(3)16-15-9/h4-5,7-8H,6H2,1-3H3,(H2,13,14,19).
What are the key properties of 1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea?
1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea has a molecular weight of 263.31 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 72905357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).