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

C9H13N5O — CID 106303410

IUPAC[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol
SMILESCCn1cnnc1Cn1cncc1CO
InChIInChI=1S/C9H13N5O/c1-2-13-7-11-12-9(13)4-14-6-10-3-8(14)5-15/h3,6-7,15H,2,4-5H2,1H3
InChIKeyDVVFYLTWBKCDBZ-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.04
Rot. Bonds4

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

[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol (PubChem CID 106303410) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is [3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol
PubChem CID106303410
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol
SMILESCCn1cnnc1Cn1cncc1CO
InChIInChI=1S/C9H13N5O/c1-2-13-7-11-12-9(13)4-14-6-10-3-8(14)5-15/h3,6-7,15H,2,4-5H2,1H3
InChIKeyDVVFYLTWBKCDBZ-UHFFFAOYSA-N
XLogP0.04
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 ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 106302295
[3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol
CID 82744844
N-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150756
4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 106302869
3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol
CID 22988642
[3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol
CID 90732489
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 130987229
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
CID 79256368
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 106302438
2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol
CID 66135627
4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine
CID 115394759
4-acetyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxylic acid
CID 114170919

Frequently Asked Questions

What is the IUPAC name of [3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol?
The IUPAC name of [3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol (CID 106303410) is [3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol is CCn1cnnc1Cn1cncc1CO.
What is the InChIKey of [3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol?
The InChIKey is DVVFYLTWBKCDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-2-13-7-11-12-9(13)4-14-6-10-3-8(14)5-15/h3,6-7,15H,2,4-5H2,1H3.
What are the key properties of [3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol?
[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol has a molecular weight of 207.24 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 106303410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).