(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol

C8H11N5O — CID 114685151

IUPAC(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol
SMILESCn1cncc1C(O)c1cnnn1C
InChIInChI=1S/C8H11N5O/c1-12-5-9-3-6(12)8(14)7-4-10-11-13(7)2/h3-5,8,14H,1-2H3
InChIKeyRSBGJIAJOPJGBH-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.37
Rot. Bonds2

About (3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol

(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol (PubChem CID 114685151) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol
PubChem CID114685151
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol
SMILESCn1cncc1C(O)c1cnnn1C
InChIInChI=1S/C8H11N5O/c1-12-5-9-3-6(12)8(14)7-4-10-11-13(7)2/h3-5,8,14H,1-2H3
InChIKeyRSBGJIAJOPJGBH-UHFFFAOYSA-N
XLogP-0.37
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol (CID 114685151) is (3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol is Cn1cncc1C(O)c1cnnn1C.
What is the InChIKey of (3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is RSBGJIAJOPJGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-12-5-9-3-6(12)8(14)7-4-10-11-13(7)2/h3-5,8,14H,1-2H3.
What are the key properties of (3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol?
(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 193.21 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 114685151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).