(2-ethyl-5-iodotriazol-4-yl)-(1-ethylpyrazol-4-yl)methanol

C10H14IN5O — CID 166560096

IUPAC(2-ethyl-5-iodotriazol-4-yl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2nn(CC)nc2I)cn1
InChIInChI=1S/C10H14IN5O/c1-3-15-6-7(5-12-15)9(17)8-10(11)14-16(4-2)13-8/h5-6,9,17H,3-4H2,1-2H3
InChIKeyLMTVABDCMDTIJA-UHFFFAOYSA-N
MW347.16 g/mol
LogP1.20
Rot. Bonds4

About (2-ethyl-5-iodotriazol-4-yl)-(1-ethylpyrazol-4-yl)methanol

(2-ethyl-5-iodotriazol-4-yl)-(1-ethylpyrazol-4-yl)methanol (PubChem CID 166560096) has the molecular formula C10H14IN5O and a molecular weight of 347.16 g/mol. Its IUPAC name is (2-ethyl-5-iodotriazol-4-yl)-(1-ethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2-ethyl-5-iodotriazol-4-yl)-(1-ethylpyrazol-4-yl)methanol
PubChem CID166560096
Molecular FormulaC10H14IN5O
Molecular Weight347.16 g/mol
Exact Mass347.02
IUPAC Name(2-ethyl-5-iodotriazol-4-yl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2nn(CC)nc2I)cn1
InChIInChI=1S/C10H14IN5O/c1-3-15-6-7(5-12-15)9(17)8-10(11)14-16(4-2)13-8/h5-6,9,17H,3-4H2,1-2H3
InChIKeyLMTVABDCMDTIJA-UHFFFAOYSA-N
XLogP1.20
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-iodotriazol-4-yl)-(1-ethylpyrazol-4-yl)methanol?
The IUPAC name of (2-ethyl-5-iodotriazol-4-yl)-(1-ethylpyrazol-4-yl)methanol (CID 166560096) is (2-ethyl-5-iodotriazol-4-yl)-(1-ethylpyrazol-4-yl)methanol.
What is the SMILES notation for (2-ethyl-5-iodotriazol-4-yl)-(1-ethylpyrazol-4-yl)methanol?
The canonical SMILES for (2-ethyl-5-iodotriazol-4-yl)-(1-ethylpyrazol-4-yl)methanol is CCn1cc(C(O)c2nn(CC)nc2I)cn1.
What is the InChIKey of (2-ethyl-5-iodotriazol-4-yl)-(1-ethylpyrazol-4-yl)methanol?
The InChIKey is LMTVABDCMDTIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN5O/c1-3-15-6-7(5-12-15)9(17)8-10(11)14-16(4-2)13-8/h5-6,9,17H,3-4H2,1-2H3.
What are the key properties of (2-ethyl-5-iodotriazol-4-yl)-(1-ethylpyrazol-4-yl)methanol?
(2-ethyl-5-iodotriazol-4-yl)-(1-ethylpyrazol-4-yl)methanol has a molecular weight of 347.16 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-iodotriazol-4-yl)-(1-ethylpyrazol-4-yl)methanol is sourced from PubChem (CID 166560096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).