1-(1,4-dihydro-1,2,3,5-tetrazin-6-yl)-N-methylmethanamine

C4H9N5 — CID 123898393

IUPAC1-(1,4-dihydro-1,2,3,5-tetrazin-6-yl)-N-methylmethanamine
SMILESCNCC1=NCN=NN1
InChIInChI=1S/C4H9N5/c1-5-2-4-6-3-7-9-8-4/h5H,2-3H2,1H3,(H,6,7,8)
InChIKeyXSYOULCRSFHGCO-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.47
Rot. Bonds2

About 1-(1,4-dihydro-1,2,3,5-tetrazin-6-yl)-N-methylmethanamine

1-(1,4-dihydro-1,2,3,5-tetrazin-6-yl)-N-methylmethanamine (PubChem CID 123898393) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-(1,4-dihydro-1,2,3,5-tetrazin-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,4-dihydro-1,2,3,5-tetrazin-6-yl)-N-methylmethanamine
PubChem CID123898393
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC Name1-(1,4-dihydro-1,2,3,5-tetrazin-6-yl)-N-methylmethanamine
SMILESCNCC1=NCN=NN1
InChIInChI=1S/C4H9N5/c1-5-2-4-6-3-7-9-8-4/h5H,2-3H2,1H3,(H,6,7,8)
InChIKeyXSYOULCRSFHGCO-UHFFFAOYSA-N
XLogP-0.47
TPSA61.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dihydro-1,2,3,5-tetrazin-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,4-dihydro-1,2,3,5-tetrazin-6-yl)-N-methylmethanamine (CID 123898393) is 1-(1,4-dihydro-1,2,3,5-tetrazin-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,4-dihydro-1,2,3,5-tetrazin-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,4-dihydro-1,2,3,5-tetrazin-6-yl)-N-methylmethanamine is CNCC1=NCN=NN1.
What is the InChIKey of 1-(1,4-dihydro-1,2,3,5-tetrazin-6-yl)-N-methylmethanamine?
The InChIKey is XSYOULCRSFHGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c1-5-2-4-6-3-7-9-8-4/h5H,2-3H2,1H3,(H,6,7,8).
What are the key properties of 1-(1,4-dihydro-1,2,3,5-tetrazin-6-yl)-N-methylmethanamine?
1-(1,4-dihydro-1,2,3,5-tetrazin-6-yl)-N-methylmethanamine has a molecular weight of 127.15 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dihydro-1,2,3,5-tetrazin-6-yl)-N-methylmethanamine is sourced from PubChem (CID 123898393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).