N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine

C7H11N7 — CID 62659503

IUPACN-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine
SMILESCNCCNc1cncc2nnnn12
InChIInChI=1S/C7H11N7/c1-8-2-3-10-6-4-9-5-7-11-12-13-14(6)7/h4-5,8,10H,2-3H2,1H3
InChIKeyDZTFQDONGHCXJM-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.85
Rot. Bonds4

About N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine

N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine (PubChem CID 62659503) has the molecular formula C7H11N7 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine
PubChem CID62659503
Molecular FormulaC7H11N7
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC NameN-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine
SMILESCNCCNc1cncc2nnnn12
InChIInChI=1S/C7H11N7/c1-8-2-3-10-6-4-9-5-7-11-12-13-14(6)7/h4-5,8,10H,2-3H2,1H3
InChIKeyDZTFQDONGHCXJM-UHFFFAOYSA-N
XLogP-0.85
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine (CID 62659503) is N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine is CNCCNc1cncc2nnnn12.
What is the InChIKey of N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine?
The InChIKey is DZTFQDONGHCXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7/c1-8-2-3-10-6-4-9-5-7-11-12-13-14(6)7/h4-5,8,10H,2-3H2,1H3.
What are the key properties of N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine?
N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine has a molecular weight of 193.21 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 62659503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).