N-[2-(tetrazolo[1,5-a]pyrazin-5-yloxy)ethyl]propan-2-amine

C9H14N6O — CID 62348428

IUPACN-[2-(tetrazolo[1,5-a]pyrazin-5-yloxy)ethyl]propan-2-amine
SMILESCC(C)NCCOc1cncc2nnnn12
InChIInChI=1S/C9H14N6O/c1-7(2)11-3-4-16-9-6-10-5-8-12-13-14-15(8)9/h5-7,11H,3-4H2,1-2H3
InChIKeyXSPMHNPSTYPRAX-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.10
Rot. Bonds5

About N-[2-(tetrazolo[1,5-a]pyrazin-5-yloxy)ethyl]propan-2-amine

N-[2-(tetrazolo[1,5-a]pyrazin-5-yloxy)ethyl]propan-2-amine (PubChem CID 62348428) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is N-[2-(tetrazolo[1,5-a]pyrazin-5-yloxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(tetrazolo[1,5-a]pyrazin-5-yloxy)ethyl]propan-2-amine
PubChem CID62348428
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC NameN-[2-(tetrazolo[1,5-a]pyrazin-5-yloxy)ethyl]propan-2-amine
SMILESCC(C)NCCOc1cncc2nnnn12
InChIInChI=1S/C9H14N6O/c1-7(2)11-3-4-16-9-6-10-5-8-12-13-14-15(8)9/h5-7,11H,3-4H2,1-2H3
InChIKeyXSPMHNPSTYPRAX-UHFFFAOYSA-N
XLogP-0.10
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-3-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine
CID 63200003
N-(2-methoxyethyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 60980965
methyl 2-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]acetate
CID 62004531
N-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine
CID 63202265
N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine
CID 62659503
N-[(1-methylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
CID 103737000
2-methyl-1-(tetrazolo[1,5-a]pyrazin-5-ylamino)propan-2-ol
CID 63940787
N-(2-bromo-3-methoxypropyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine
CID 80674800
methyl 6-[3-(propan-2-ylamino)propoxy]pyrazine-2-carboxylate
CID 66455846
2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid
CID 104683126
N-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethyl]propan-2-amine
CID 106598275
N-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 115637457

Frequently Asked Questions

What is the IUPAC name of N-[2-(tetrazolo[1,5-a]pyrazin-5-yloxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(tetrazolo[1,5-a]pyrazin-5-yloxy)ethyl]propan-2-amine (CID 62348428) is N-[2-(tetrazolo[1,5-a]pyrazin-5-yloxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(tetrazolo[1,5-a]pyrazin-5-yloxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(tetrazolo[1,5-a]pyrazin-5-yloxy)ethyl]propan-2-amine is CC(C)NCCOc1cncc2nnnn12.
What is the InChIKey of N-[2-(tetrazolo[1,5-a]pyrazin-5-yloxy)ethyl]propan-2-amine?
The InChIKey is XSPMHNPSTYPRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-7(2)11-3-4-16-9-6-10-5-8-12-13-14-15(8)9/h5-7,11H,3-4H2,1-2H3.
What are the key properties of N-[2-(tetrazolo[1,5-a]pyrazin-5-yloxy)ethyl]propan-2-amine?
N-[2-(tetrazolo[1,5-a]pyrazin-5-yloxy)ethyl]propan-2-amine has a molecular weight of 222.25 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tetrazolo[1,5-a]pyrazin-5-yloxy)ethyl]propan-2-amine is sourced from PubChem (CID 62348428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).