[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indol-7-yl]methanol

C16H18N4O — CID 107078488

IUPAC[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indol-7-yl]methanol
SMILESOCc1cccc2ccn(Cc3nnc4n3CCCC4)c12
InChIInChI=1S/C16H18N4O/c21-11-13-5-3-4-12-7-9-19(16(12)13)10-15-18-17-14-6-1-2-8-20(14)15/h3-5,7,9,21H,1-2,6,8,10-11H2
InChIKeyIEOUTHCFQWBVEP-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.11
Rot. Bonds3

About [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indol-7-yl]methanol

[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indol-7-yl]methanol (PubChem CID 107078488) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indol-7-yl]methanol.

Molecular Properties

Compound Name[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indol-7-yl]methanol
PubChem CID107078488
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indol-7-yl]methanol
SMILESOCc1cccc2ccn(Cc3nnc4n3CCCC4)c12
InChIInChI=1S/C16H18N4O/c21-11-13-5-3-4-12-7-9-19(16(12)13)10-15-18-17-14-6-1-2-8-20(14)15/h3-5,7,9,21H,1-2,6,8,10-11H2
InChIKeyIEOUTHCFQWBVEP-UHFFFAOYSA-N
XLogP2.11
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indol-7-yl]methanol with MolForge

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Related Compounds

1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-one
CID 107078714
2-[7-(hydroxymethyl)indol-1-yl]ethanol
CID 102912014
[1-(pyridin-2-ylmethyl)indol-7-yl]methanol
CID 102911903
naphthalen-1-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazin-1-yl]methanone
CID 46449540
(1-prop-2-ynylindol-7-yl)methanol
CID 102912084
[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol
CID 102912135
3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 113361809
[1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol
CID 102912293
3-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 140603851
1-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-one
CID 107078733
[1-(1,3-benzothiazol-2-ylmethyl)indol-7-yl]methanol
CID 102912323
3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 56873192

Frequently Asked Questions

What is the IUPAC name of [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indol-7-yl]methanol?
The IUPAC name of [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indol-7-yl]methanol (CID 107078488) is [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indol-7-yl]methanol.
What is the SMILES notation for [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indol-7-yl]methanol?
The canonical SMILES for [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indol-7-yl]methanol is OCc1cccc2ccn(Cc3nnc4n3CCCC4)c12.
What is the InChIKey of [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indol-7-yl]methanol?
The InChIKey is IEOUTHCFQWBVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-11-13-5-3-4-12-7-9-19(16(12)13)10-15-18-17-14-6-1-2-8-20(14)15/h3-5,7,9,21H,1-2,6,8,10-11H2.
What are the key properties of [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indol-7-yl]methanol?
[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indol-7-yl]methanol has a molecular weight of 282.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indol-7-yl]methanol is sourced from PubChem (CID 107078488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).