1-(3,5-dimethyl-1,2,4-triazin-6-yl)-N-methylmethanamine

C7H12N4 — CID 82417050

IUPAC1-(3,5-dimethyl-1,2,4-triazin-6-yl)-N-methylmethanamine
SMILESCNCc1nnc(C)nc1C
InChIInChI=1S/C7H12N4/c1-5-7(4-8-3)11-10-6(2)9-5/h8H,4H2,1-3H3
InChIKeyPWIBNHHTUIEPSD-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.21
Rot. Bonds2

About 1-(3,5-dimethyl-1,2,4-triazin-6-yl)-N-methylmethanamine

1-(3,5-dimethyl-1,2,4-triazin-6-yl)-N-methylmethanamine (PubChem CID 82417050) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2,4-triazin-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2,4-triazin-6-yl)-N-methylmethanamine
PubChem CID82417050
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name1-(3,5-dimethyl-1,2,4-triazin-6-yl)-N-methylmethanamine
SMILESCNCc1nnc(C)nc1C
InChIInChI=1S/C7H12N4/c1-5-7(4-8-3)11-10-6(2)9-5/h8H,4H2,1-3H3
InChIKeyPWIBNHHTUIEPSD-UHFFFAOYSA-N
XLogP0.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2,4-triazin-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dimethyl-1,2,4-triazin-6-yl)-N-methylmethanamine (CID 82417050) is 1-(3,5-dimethyl-1,2,4-triazin-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2,4-triazin-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dimethyl-1,2,4-triazin-6-yl)-N-methylmethanamine is CNCc1nnc(C)nc1C.
What is the InChIKey of 1-(3,5-dimethyl-1,2,4-triazin-6-yl)-N-methylmethanamine?
The InChIKey is PWIBNHHTUIEPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-5-7(4-8-3)11-10-6(2)9-5/h8H,4H2,1-3H3.
What are the key properties of 1-(3,5-dimethyl-1,2,4-triazin-6-yl)-N-methylmethanamine?
1-(3,5-dimethyl-1,2,4-triazin-6-yl)-N-methylmethanamine has a molecular weight of 152.20 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2,4-triazin-6-yl)-N-methylmethanamine is sourced from PubChem (CID 82417050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).