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

C15H18N4O — CID 66398883

IUPAC[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanol
SMILESCCCn1ncnc1Cn1cc(CO)c2ccccc21
InChIInChI=1S/C15H18N4O/c1-2-7-19-15(16-11-17-19)9-18-8-12(10-20)13-5-3-4-6-14(13)18/h3-6,8,11,20H,2,7,9-10H2,1H3
InChIKeyDCAJOZSKVRWDQL-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.18
Rot. Bonds5

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

[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanol (PubChem CID 66398883) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanol
PubChem CID66398883
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanol
SMILESCCCn1ncnc1Cn1cc(CO)c2ccccc21
InChIInChI=1S/C15H18N4O/c1-2-7-19-15(16-11-17-19)9-18-8-12(10-20)13-5-3-4-6-14(13)18/h3-6,8,11,20H,2,7,9-10H2,1H3
InChIKeyDCAJOZSKVRWDQL-UHFFFAOYSA-N
XLogP2.18
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole
CID 82795063
[1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol
CID 66397807
[1-[(5-methyl-2-pyridinyl)methyl]indol-3-yl]methanol
CID 118617480
1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-one
CID 116618362
[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol
CID 112641646
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol
CID 66398666
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol
CID 66397796
[1-[(1-butan-2-ylpyrazol-3-yl)methyl]indol-3-yl]methanol
CID 66398439
2-oxo-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carbonitrile
CID 107017431
[1-(4-methylpentyl)indol-3-yl]methanol
CID 83158381
1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazole-4-carbaldehyde
CID 106716793
1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole
CID 126836065

Frequently Asked Questions

What is the IUPAC name of [1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanol?
The IUPAC name of [1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanol (CID 66398883) is [1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanol.
What is the SMILES notation for [1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanol?
The canonical SMILES for [1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanol is CCCn1ncnc1Cn1cc(CO)c2ccccc21.
What is the InChIKey of [1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanol?
The InChIKey is DCAJOZSKVRWDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-7-19-15(16-11-17-19)9-18-8-12(10-20)13-5-3-4-6-14(13)18/h3-6,8,11,20H,2,7,9-10H2,1H3.
What are the key properties of [1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanol?
[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanol has a molecular weight of 270.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanol is sourced from PubChem (CID 66398883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).