[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol

C8H11N5O — CID 106717253

IUPAC[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol
SMILESCn1cnnc1Cn1cnc(CO)c1
InChIInChI=1S/C8H11N5O/c1-12-6-10-11-8(12)3-13-2-7(4-14)9-5-13/h2,5-6,14H,3-4H2,1H3
InChIKeyMRSKAOCKZBHGSK-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.45
Rot. Bonds3

About [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol

[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol (PubChem CID 106717253) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol
PubChem CID106717253
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol
SMILESCn1cnnc1Cn1cnc(CO)c1
InChIInChI=1S/C8H11N5O/c1-12-6-10-11-8(12)3-13-2-7(4-14)9-5-13/h2,5-6,14H,3-4H2,1H3
InChIKeyMRSKAOCKZBHGSK-UHFFFAOYSA-N
XLogP-0.45
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol?
The IUPAC name of [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol (CID 106717253) is [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol is Cn1cnnc1Cn1cnc(CO)c1.
What is the InChIKey of [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol?
The InChIKey is MRSKAOCKZBHGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-12-6-10-11-8(12)3-13-2-7(4-14)9-5-13/h2,5-6,14H,3-4H2,1H3.
What are the key properties of [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol?
[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol has a molecular weight of 193.21 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 106717253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).