N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyridin-3-amine

C17H19N7 — CID 97405764

IUPACN-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyridin-3-amine
SMILESc1ccc(CN2CCn3c(CNc4cccnc4)nnc3C2)nc1
InChIInChI=1S/C17H19N7/c1-2-7-19-15(4-1)12-23-8-9-24-16(21-22-17(24)13-23)11-20-14-5-3-6-18-10-14/h1-7,10,20H,8-9,11-13H2
InChIKeySZJGCLGUYSDFFN-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.70
Rot. Bonds5

About N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyridin-3-amine

N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyridin-3-amine (PubChem CID 97405764) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyridin-3-amine
PubChem CID97405764
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC NameN-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyridin-3-amine
SMILESc1ccc(CN2CCn3c(CNc4cccnc4)nnc3C2)nc1
InChIInChI=1S/C17H19N7/c1-2-7-19-15(4-1)12-23-8-9-24-16(21-22-17(24)13-23)11-20-14-5-3-6-18-10-14/h1-7,10,20H,8-9,11-13H2
InChIKeySZJGCLGUYSDFFN-UHFFFAOYSA-N
XLogP1.70
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyridin-3-amine with MolForge

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Related Compounds

1H-pyrazol-5-yl-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 131696690
(1-methyl-1,2,4-triazol-3-yl)-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 131691086
8-(pyridin-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine
CID 97413613
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)aniline
CID 60722553
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367
7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 155874766
morpholin-4-yl-[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone
CID 134072230
1-pyridin-3-yl-7-(pyridin-2-ylmethyl)-1,7-diazaspiro[3.5]nonane
CID 134073217
2-(piperidin-1-ylmethyl)-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97382059
1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 51361852
3-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 136559880
N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline
CID 78990700

Frequently Asked Questions

What is the IUPAC name of N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyridin-3-amine?
The IUPAC name of N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyridin-3-amine (CID 97405764) is N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyridin-3-amine.
What is the SMILES notation for N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyridin-3-amine?
The canonical SMILES for N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyridin-3-amine is c1ccc(CN2CCn3c(CNc4cccnc4)nnc3C2)nc1.
What is the InChIKey of N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyridin-3-amine?
The InChIKey is SZJGCLGUYSDFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7/c1-2-7-19-15(4-1)12-23-8-9-24-16(21-22-17(24)13-23)11-20-14-5-3-6-18-10-14/h1-7,10,20H,8-9,11-13H2.
What are the key properties of N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyridin-3-amine?
N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyridin-3-amine has a molecular weight of 321.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 97405764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).