N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine

C9H12N6 — CID 171326342

IUPACN-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
SMILESCNC1CN(c2nccn3cnnc23)C1
InChIInChI=1S/C9H12N6/c1-10-7-4-15(5-7)8-9-13-12-6-14(9)3-2-11-8/h2-3,6-7,10H,4-5H2,1H3
InChIKeyLEEZLILMOMAWMR-UHFFFAOYSA-N
MW204.24 g/mol
LogP-0.47
Rot. Bonds2

About N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine

N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine (PubChem CID 171326342) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
PubChem CID171326342
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC NameN-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
SMILESCNC1CN(c2nccn3cnnc23)C1
InChIInChI=1S/C9H12N6/c1-10-7-4-15(5-7)8-9-13-12-6-14(9)3-2-11-8/h2-3,6-7,10H,4-5H2,1H3
InChIKeyLEEZLILMOMAWMR-UHFFFAOYSA-N
XLogP-0.47
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[(3aS,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 97218843
8-[(3aR,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 97218844
8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 80673667
8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 114682577
2,4-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 119104884
1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 71926075
1-buta-1,3-dien-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 123514712
1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide
CID 119104878
N,N-dimethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-8-oxa-2-azaspiro[4.5]decan-4-amine
CID 138009084
2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide
CID 119104882
(3S,4S)-N-[2-(diethylsulfamoyl)ethyl]-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide
CID 124742116
propan-2-yl 4-[[(3R,4R)-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 97093331

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine?
The IUPAC name of N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine (CID 171326342) is N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine.
What is the SMILES notation for N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine?
The canonical SMILES for N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine is CNC1CN(c2nccn3cnnc23)C1.
What is the InChIKey of N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine?
The InChIKey is LEEZLILMOMAWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-10-7-4-15(5-7)8-9-13-12-6-14(9)3-2-11-8/h2-3,6-7,10H,4-5H2,1H3.
What are the key properties of N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine?
N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine has a molecular weight of 204.24 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine is sourced from PubChem (CID 171326342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).