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

C8H12N4 — CID 105432481

IUPAC1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylmethanamine
SMILESCNCc1nncc(C2CC2)n1
InChIInChI=1S/C8H12N4/c1-9-5-8-11-7(4-10-12-8)6-2-3-6/h4,6,9H,2-3,5H2,1H3
InChIKeyDZTHHHPGTQEWBR-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.47
Rot. Bonds3

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

1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylmethanamine (PubChem CID 105432481) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylmethanamine
PubChem CID105432481
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylmethanamine
SMILESCNCc1nncc(C2CC2)n1
InChIInChI=1S/C8H12N4/c1-9-5-8-11-7(4-10-12-8)6-2-3-6/h4,6,9H,2-3,5H2,1H3
InChIKeyDZTHHHPGTQEWBR-UHFFFAOYSA-N
XLogP0.47
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylmethanamine (CID 105432481) is 1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylmethanamine is CNCc1nncc(C2CC2)n1.
What is the InChIKey of 1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylmethanamine?
The InChIKey is DZTHHHPGTQEWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-9-5-8-11-7(4-10-12-8)6-2-3-6/h4,6,9H,2-3,5H2,1H3.
What are the key properties of 1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylmethanamine?
1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylmethanamine has a molecular weight of 164.21 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 105432481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).