[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]indol-5-yl]methanol

C14H16N4O — CID 102912872

IUPAC[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]indol-5-yl]methanol
SMILESCCn1ncnc1Cn1ccc2cc(CO)ccc21
InChIInChI=1S/C14H16N4O/c1-2-18-14(15-10-16-18)8-17-6-5-12-7-11(9-19)3-4-13(12)17/h3-7,10,19H,2,8-9H2,1H3
InChIKeyLOLQFLRWXXLVJC-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.79
Rot. Bonds4

About [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]indol-5-yl]methanol

[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]indol-5-yl]methanol (PubChem CID 102912872) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]indol-5-yl]methanol.

Molecular Properties

Compound Name[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]indol-5-yl]methanol
PubChem CID102912872
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]indol-5-yl]methanol
SMILESCCn1ncnc1Cn1ccc2cc(CO)ccc21
InChIInChI=1S/C14H16N4O/c1-2-18-14(15-10-16-18)8-17-6-5-12-7-11(9-19)3-4-13(12)17/h3-7,10,19H,2,8-9H2,1H3
InChIKeyLOLQFLRWXXLVJC-UHFFFAOYSA-N
XLogP1.79
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylindole
CID 116546855
[1-[(4-ethylphenyl)methyl]indol-5-yl]methanol
CID 102912425
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-5-yl]methanol
CID 102912413
(1-butylindol-5-yl)methanol
CID 102912394
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzonitrile
CID 102912614
[1-[(5-methyl-3-pyridinyl)methyl]indol-5-yl]methanol
CID 102912773
[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol
CID 102912636
[1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol
CID 102912438
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzoic acid
CID 102912731
[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol
CID 102912844
3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol
CID 102912449
[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol
CID 102912856

Frequently Asked Questions

What is the IUPAC name of [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]indol-5-yl]methanol?
The IUPAC name of [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]indol-5-yl]methanol (CID 102912872) is [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]indol-5-yl]methanol.
What is the SMILES notation for [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]indol-5-yl]methanol?
The canonical SMILES for [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]indol-5-yl]methanol is CCn1ncnc1Cn1ccc2cc(CO)ccc21.
What is the InChIKey of [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]indol-5-yl]methanol?
The InChIKey is LOLQFLRWXXLVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-18-14(15-10-16-18)8-17-6-5-12-7-11(9-19)3-4-13(12)17/h3-7,10,19H,2,8-9H2,1H3.
What are the key properties of [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]indol-5-yl]methanol?
[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]indol-5-yl]methanol has a molecular weight of 256.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]indol-5-yl]methanol is sourced from PubChem (CID 102912872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).