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

C12H17N5O — CID 113338962

IUPACN-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC=CCCOCCNc1nccn2c(C)nnc12
InChIInChI=1S/C12H17N5O/c1-3-4-8-18-9-6-14-11-12-16-15-10(2)17(12)7-5-13-11/h3,5,7H,1,4,6,8-9H2,2H3,(H,13,14)
InChIKeyXQHFRAKVKDMMKT-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.44
Rot. Bonds7

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

N-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 113338962) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID113338962
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC=CCCOCCNc1nccn2c(C)nnc12
InChIInChI=1S/C12H17N5O/c1-3-4-8-18-9-6-14-11-12-16-15-10(2)17(12)7-5-13-11/h3,5,7H,1,4,6,8-9H2,2H3,(H,13,14)
InChIKeyXQHFRAKVKDMMKT-UHFFFAOYSA-N
XLogP1.44
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 64369720
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 64369721
N-[2-(2,2-difluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 103081314
N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 103081515
3-(Methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 433346
ethane;N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-8-amine
CID 143461154
(E)-4-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-N-ethylbut-3-en-1-amine
CID 163278150
4-Imidazo[1,2-d][1,2,4]triazin-5-ylmorpholine
CID 12493315
N-(2-methoxyethyl)-N'-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine
CID 55090725
N-(2-ethoxyethyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 60966224
2-([1,2,4]Triazolo[4,3-a]pyrazin-3-yl)morpholine
CID 61735825
N-(1-methoxypropan-2-yl)tetrazolo[1,5-a]pyrazin-5-amine
CID 61805739

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 113338962) is N-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is C=CCCOCCNc1nccn2c(C)nnc12.
What is the InChIKey of N-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is XQHFRAKVKDMMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-4-8-18-9-6-14-11-12-16-15-10(2)17(12)7-5-13-11/h3,5,7H,1,4,6,8-9H2,2H3,(H,13,14).
What are the key properties of N-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 247.30 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 113338962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).