N-(2-bromo-3-methoxypropyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine

C9H13BrN6O — CID 80674800

IUPACN-(2-bromo-3-methoxypropyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine
SMILESCOCC(Br)CN(C)c1cncc2nnnn12
InChIInChI=1S/C9H13BrN6O/c1-15(5-7(10)6-17-2)9-4-11-3-8-12-13-14-16(8)9/h3-4,7H,5-6H2,1-2H3
InChIKeyJBDGZYPOOTVHSZ-UHFFFAOYSA-N
MW301.15 g/mol
LogP0.37
Rot. Bonds5

About N-(2-bromo-3-methoxypropyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine

N-(2-bromo-3-methoxypropyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 80674800) has the molecular formula C9H13BrN6O and a molecular weight of 301.15 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine
PubChem CID80674800
Molecular FormulaC9H13BrN6O
Molecular Weight301.15 g/mol
Exact Mass300.03
IUPAC NameN-(2-bromo-3-methoxypropyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine
SMILESCOCC(Br)CN(C)c1cncc2nnnn12
InChIInChI=1S/C9H13BrN6O/c1-15(5-7(10)6-17-2)9-4-11-3-8-12-13-14-16(8)9/h3-4,7H,5-6H2,1-2H3
InChIKeyJBDGZYPOOTVHSZ-UHFFFAOYSA-N
XLogP0.37
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]acetate
CID 62004531
N-(2-methoxyethyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 60980965
N-(2-bromocyclohexyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine
CID 102637677
N-[2-(tetrazolo[1,5-a]pyrazin-5-yloxy)ethyl]propan-2-amine
CID 62348428
5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine
CID 80674574
1-(tetrazolo[1,5-a]pyrazin-5-yl)propan-2-amine
CID 63196883
N,N'-diethyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine
CID 62586413
2-bromo-3-methoxy-N-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 107054124
N-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine
CID 80674688
3,3-dimethyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine
CID 63196853
methyl 3-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)butanoate
CID 66113967
2-bromo-3-methoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 112644425

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine (CID 80674800) is N-(2-bromo-3-methoxypropyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine is COCC(Br)CN(C)c1cncc2nnnn12.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is JBDGZYPOOTVHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN6O/c1-15(5-7(10)6-17-2)9-4-11-3-8-12-13-14-16(8)9/h3-4,7H,5-6H2,1-2H3.
What are the key properties of N-(2-bromo-3-methoxypropyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine?
N-(2-bromo-3-methoxypropyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 301.15 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 80674800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).