4-(2-methoxypropan-2-yl)-1-[(1-methylpyrazol-4-yl)methyl]triazole

C11H17N5O — CID 146135460

IUPAC4-(2-methoxypropan-2-yl)-1-[(1-methylpyrazol-4-yl)methyl]triazole
SMILESCOC(C)(C)c1cn(Cc2cnn(C)c2)nn1
InChIInChI=1S/C11H17N5O/c1-11(2,17-4)10-8-16(14-13-10)7-9-5-12-15(3)6-9/h5-6,8H,7H2,1-4H3
InChIKeyFWKBRBKSRRVJIC-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.94
Rot. Bonds4

About 4-(2-methoxypropan-2-yl)-1-[(1-methylpyrazol-4-yl)methyl]triazole

4-(2-methoxypropan-2-yl)-1-[(1-methylpyrazol-4-yl)methyl]triazole (PubChem CID 146135460) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(2-methoxypropan-2-yl)-1-[(1-methylpyrazol-4-yl)methyl]triazole.

Molecular Properties

Compound Name4-(2-methoxypropan-2-yl)-1-[(1-methylpyrazol-4-yl)methyl]triazole
PubChem CID146135460
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-(2-methoxypropan-2-yl)-1-[(1-methylpyrazol-4-yl)methyl]triazole
SMILESCOC(C)(C)c1cn(Cc2cnn(C)c2)nn1
InChIInChI=1S/C11H17N5O/c1-11(2,17-4)10-8-16(14-13-10)7-9-5-12-15(3)6-9/h5-6,8H,7H2,1-4H3
InChIKeyFWKBRBKSRRVJIC-UHFFFAOYSA-N
XLogP0.94
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(1-methylpyrazol-4-yl)methyl]triazol-4-yl]butan-2-ol
CID 146083108
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol
CID 103014205
4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine
CID 61350220
N-[2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-yl]acetamide
CID 167860304
1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62534696
1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
CID 63282120
3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116746650
N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 55109269
4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103012385
N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014439
1-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 43728903
ethane;4-ethyl-1-methylpyrazole
CID 143829284

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypropan-2-yl)-1-[(1-methylpyrazol-4-yl)methyl]triazole?
The IUPAC name of 4-(2-methoxypropan-2-yl)-1-[(1-methylpyrazol-4-yl)methyl]triazole (CID 146135460) is 4-(2-methoxypropan-2-yl)-1-[(1-methylpyrazol-4-yl)methyl]triazole.
What is the SMILES notation for 4-(2-methoxypropan-2-yl)-1-[(1-methylpyrazol-4-yl)methyl]triazole?
The canonical SMILES for 4-(2-methoxypropan-2-yl)-1-[(1-methylpyrazol-4-yl)methyl]triazole is COC(C)(C)c1cn(Cc2cnn(C)c2)nn1.
What is the InChIKey of 4-(2-methoxypropan-2-yl)-1-[(1-methylpyrazol-4-yl)methyl]triazole?
The InChIKey is FWKBRBKSRRVJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-11(2,17-4)10-8-16(14-13-10)7-9-5-12-15(3)6-9/h5-6,8H,7H2,1-4H3.
What are the key properties of 4-(2-methoxypropan-2-yl)-1-[(1-methylpyrazol-4-yl)methyl]triazole?
4-(2-methoxypropan-2-yl)-1-[(1-methylpyrazol-4-yl)methyl]triazole has a molecular weight of 235.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropan-2-yl)-1-[(1-methylpyrazol-4-yl)methyl]triazole is sourced from PubChem (CID 146135460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).