3-(2,3-dihydro-1H-indol-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C14H13N5 — CID 80577077

IUPAC3-(2,3-dihydro-1H-indol-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc2c(c1)NCC2Cc1nnc2cnccn12
InChIInChI=1S/C14H13N5/c1-2-4-12-11(3-1)10(8-16-12)7-13-17-18-14-9-15-5-6-19(13)14/h1-6,9-10,16H,7-8H2
InChIKeyZBZSAIUOYCOHNC-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.88
Rot. Bonds2

About 3-(2,3-dihydro-1H-indol-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine

3-(2,3-dihydro-1H-indol-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 80577077) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID80577077
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name3-(2,3-dihydro-1H-indol-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc2c(c1)NCC2Cc1nnc2cnccn12
InChIInChI=1S/C14H13N5/c1-2-4-12-11(3-1)10(8-16-12)7-13-17-18-14-9-15-5-6-19(13)14/h1-6,9-10,16H,7-8H2
InChIKeyZBZSAIUOYCOHNC-UHFFFAOYSA-N
XLogP1.88
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydro-1H-indol-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 81057061
[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanamine
CID 16770347
3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 590449
N-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)aniline
CID 54924493
3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 43479044
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole
CID 80572125
5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 80577038
3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole
CID 115104033
3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 80565688
4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine
CID 80567140
4-[2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]aniline
CID 113290443

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2,3-dihydro-1H-indol-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 80577077) is 3-(2,3-dihydro-1H-indol-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine is c1ccc2c(c1)NCC2Cc1nnc2cnccn12.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ZBZSAIUOYCOHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-2-4-12-11(3-1)10(8-16-12)7-13-17-18-14-9-15-5-6-19(13)14/h1-6,9-10,16H,7-8H2.
What are the key properties of 3-(2,3-dihydro-1H-indol-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2,3-dihydro-1H-indol-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 251.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 80577077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).