3-methyl-1,2,4,5-tetrazinane

C3H10N4 — CID 140509689

IUPAC3-methyl-1,2,4,5-tetrazinane
SMILESCC1NNCNN1
InChIInChI=1S/C3H10N4/c1-3-6-4-2-5-7-3/h3-7H,2H2,1H3
InChIKeyJACPEADNYNNPIU-UHFFFAOYSA-N
MW102.14 g/mol
LogP-1.51
Rot. Bonds

About 3-methyl-1,2,4,5-tetrazinane

3-methyl-1,2,4,5-tetrazinane (PubChem CID 140509689) has the molecular formula C3H10N4 and a molecular weight of 102.14 g/mol. Its IUPAC name is 3-methyl-1,2,4,5-tetrazinane.

Molecular Properties

Compound Name3-methyl-1,2,4,5-tetrazinane
PubChem CID140509689
Molecular FormulaC3H10N4
Molecular Weight102.14 g/mol
Exact Mass102.09
IUPAC Name3-methyl-1,2,4,5-tetrazinane
SMILESCC1NNCNN1
InChIInChI=1S/C3H10N4/c1-3-6-4-2-5-7-3/h3-7H,2H2,1H3
InChIKeyJACPEADNYNNPIU-UHFFFAOYSA-N
XLogP-1.51
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,4,5-tetrazinane?
The IUPAC name of 3-methyl-1,2,4,5-tetrazinane (CID 140509689) is 3-methyl-1,2,4,5-tetrazinane.
What is the SMILES notation for 3-methyl-1,2,4,5-tetrazinane?
The canonical SMILES for 3-methyl-1,2,4,5-tetrazinane is CC1NNCNN1.
What is the InChIKey of 3-methyl-1,2,4,5-tetrazinane?
The InChIKey is JACPEADNYNNPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4/c1-3-6-4-2-5-7-3/h3-7H,2H2,1H3.
What are the key properties of 3-methyl-1,2,4,5-tetrazinane?
3-methyl-1,2,4,5-tetrazinane has a molecular weight of 102.14 g/mol, XLogP of -1.51, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,4,5-tetrazinane is sourced from PubChem (CID 140509689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).