[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol

C9H13N5O — CID 103014198

IUPAC[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol
SMILESCn1cc(CCn2cc(CO)nn2)cn1
InChIInChI=1S/C9H13N5O/c1-13-5-8(4-10-13)2-3-14-6-9(7-15)11-12-14/h4-6,15H,2-3,7H2,1H3
InChIKeyFDOIUBFCSBQULC-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.25
Rot. Bonds4

About [1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol

[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol (PubChem CID 103014198) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is [1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol
PubChem CID103014198
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol
SMILESCn1cc(CCn2cc(CO)nn2)cn1
InChIInChI=1S/C9H13N5O/c1-13-5-8(4-10-13)2-3-14-6-9(7-15)11-12-14/h4-6,15H,2-3,7H2,1H3
InChIKeyFDOIUBFCSBQULC-UHFFFAOYSA-N
XLogP-0.25
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid
CID 107461871
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 103014130
2-amino-3-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propanoic acid
CID 103014103
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol
CID 103014205
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
[1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol
CID 62399765
[1-(3-phenylpropyl)triazol-4-yl]methanol
CID 62401838
4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole
CID 146140960
dideuterio-(1-methylpyrazol-4-yl)methanol
CID 170523002
[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol
CID 78357904
1-methyl-4-propylpyrazole;propane
CID 155742221
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol?
The IUPAC name of [1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol (CID 103014198) is [1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol is Cn1cc(CCn2cc(CO)nn2)cn1.
What is the InChIKey of [1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol?
The InChIKey is FDOIUBFCSBQULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-13-5-8(4-10-13)2-3-14-6-9(7-15)11-12-14/h4-6,15H,2-3,7H2,1H3.
What are the key properties of [1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol?
[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol has a molecular weight of 207.24 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol is sourced from PubChem (CID 103014198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).