(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol

C7H9N5O — CID 65363337

IUPAC(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol
SMILESCn1ccnc1C(O)c1ncn[nH]1
InChIInChI=1S/C7H9N5O/c1-12-3-2-8-7(12)5(13)6-9-4-10-11-6/h2-5,13H,1H3,(H,9,10,11)
InChIKeyXNTQJJKCLPTXDK-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.38
Rot. Bonds2

About (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol

(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol (PubChem CID 65363337) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol
PubChem CID65363337
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol
SMILESCn1ccnc1C(O)c1ncn[nH]1
InChIInChI=1S/C7H9N5O/c1-12-3-2-8-7(12)5(13)6-9-4-10-11-6/h2-5,13H,1H3,(H,9,10,11)
InChIKeyXNTQJJKCLPTXDK-UHFFFAOYSA-N
XLogP-0.38
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362548
(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol
CID 26722436
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222
N-[1-(1-methylimidazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64548472
N-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 114530308
(2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride
CID 173103248
1-(1-methylimidazol-2-yl)propane-1-thiol
CID 174522847
2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol
CID 115799884
[4-(diethylamino)phenyl]-(1-methylimidazol-2-yl)methanol
CID 23797851
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanol
CID 105098896
1-methyl-2-pentan-3-ylimidazole
CID 89261277
1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
CID 67570980

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol (CID 65363337) is (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol is Cn1ccnc1C(O)c1ncn[nH]1.
What is the InChIKey of (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol?
The InChIKey is XNTQJJKCLPTXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-12-3-2-8-7(12)5(13)6-9-4-10-11-6/h2-5,13H,1H3,(H,9,10,11).
What are the key properties of (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol?
(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol has a molecular weight of 179.18 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 65363337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).