1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol

C9H13N5O — CID 107053748

IUPAC1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(Cc2cn(C)nn2)c1
InChIInChI=1S/C9H13N5O/c1-7(15)8-3-10-14(4-8)6-9-5-13(2)12-11-9/h3-5,7,15H,6H2,1-2H3
InChIKeyMOPRVQUIYLVMLJ-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.11
Rot. Bonds3

About 1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol

1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol (PubChem CID 107053748) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol
PubChem CID107053748
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(Cc2cn(C)nn2)c1
InChIInChI=1S/C9H13N5O/c1-7(15)8-3-10-14(4-8)6-9-5-13(2)12-11-9/h3-5,7,15H,6H2,1-2H3
InChIKeyMOPRVQUIYLVMLJ-UHFFFAOYSA-N
XLogP0.11
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-ethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046191
4-[[4-(chloromethyl)pyrazol-1-yl]methyl]-1-methyltriazole
CID 107053764
ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate
CID 107043996
1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol
CID 55109223
1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol
CID 107052776
3-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]aniline
CID 107042842
2-amino-3-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propanoic acid
CID 107052617
4-(bromomethyl)-1-[(1-methyltriazol-4-yl)methyl]triazole
CID 107052782
1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol
CID 62731819
1-[3-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]ethanone
CID 130566901
4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole
CID 107058851
(1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043902

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol (CID 107053748) is 1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol is CC(O)c1cnn(Cc2cn(C)nn2)c1.
What is the InChIKey of 1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol?
The InChIKey is MOPRVQUIYLVMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-7(15)8-3-10-14(4-8)6-9-5-13(2)12-11-9/h3-5,7,15H,6H2,1-2H3.
What are the key properties of 1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol?
1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol has a molecular weight of 207.24 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 107053748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).