2-[1-[(1-methylpyrazol-4-yl)methyl]triazol-4-yl]butan-2-ol

C11H17N5O — CID 146083108

IUPAC2-[1-[(1-methylpyrazol-4-yl)methyl]triazol-4-yl]butan-2-ol
SMILESCCC(C)(O)c1cn(Cc2cnn(C)c2)nn1
InChIInChI=1S/C11H17N5O/c1-4-11(2,17)10-8-16(14-13-10)7-9-5-12-15(3)6-9/h5-6,8,17H,4,7H2,1-3H3
InChIKeyBJESYYPMECMNKC-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.68
Rot. Bonds4

About 2-[1-[(1-methylpyrazol-4-yl)methyl]triazol-4-yl]butan-2-ol

2-[1-[(1-methylpyrazol-4-yl)methyl]triazol-4-yl]butan-2-ol (PubChem CID 146083108) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[1-[(1-methylpyrazol-4-yl)methyl]triazol-4-yl]butan-2-ol.

Molecular Properties

Compound Name2-[1-[(1-methylpyrazol-4-yl)methyl]triazol-4-yl]butan-2-ol
PubChem CID146083108
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[1-[(1-methylpyrazol-4-yl)methyl]triazol-4-yl]butan-2-ol
SMILESCCC(C)(O)c1cn(Cc2cnn(C)c2)nn1
InChIInChI=1S/C11H17N5O/c1-4-11(2,17)10-8-16(14-13-10)7-9-5-12-15(3)6-9/h5-6,8,17H,4,7H2,1-3H3
InChIKeyBJESYYPMECMNKC-UHFFFAOYSA-N
XLogP0.68
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methoxypropan-2-yl)-1-[(1-methylpyrazol-4-yl)methyl]triazole
CID 146135460
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol
CID 103014205
2-[1-[(2-amino-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-2-ol
CID 165457874
1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol
CID 114496925
3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol
CID 103448660
[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol
CID 103014198
2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol
CID 102031317
1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
CID 63282120
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 112566058
1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62534696
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
CID 164967779
2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014422

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpyrazol-4-yl)methyl]triazol-4-yl]butan-2-ol?
The IUPAC name of 2-[1-[(1-methylpyrazol-4-yl)methyl]triazol-4-yl]butan-2-ol (CID 146083108) is 2-[1-[(1-methylpyrazol-4-yl)methyl]triazol-4-yl]butan-2-ol.
What is the SMILES notation for 2-[1-[(1-methylpyrazol-4-yl)methyl]triazol-4-yl]butan-2-ol?
The canonical SMILES for 2-[1-[(1-methylpyrazol-4-yl)methyl]triazol-4-yl]butan-2-ol is CCC(C)(O)c1cn(Cc2cnn(C)c2)nn1.
What is the InChIKey of 2-[1-[(1-methylpyrazol-4-yl)methyl]triazol-4-yl]butan-2-ol?
The InChIKey is BJESYYPMECMNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-11(2,17)10-8-16(14-13-10)7-9-5-12-15(3)6-9/h5-6,8,17H,4,7H2,1-3H3.
What are the key properties of 2-[1-[(1-methylpyrazol-4-yl)methyl]triazol-4-yl]butan-2-ol?
2-[1-[(1-methylpyrazol-4-yl)methyl]triazol-4-yl]butan-2-ol has a molecular weight of 235.29 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpyrazol-4-yl)methyl]triazol-4-yl]butan-2-ol is sourced from PubChem (CID 146083108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).