1-(2-tert-butyl-1,2,4-triazol-3-yl)-N-methylmethanamine

C8H16N4 — CID 107447431

IUPAC1-(2-tert-butyl-1,2,4-triazol-3-yl)-N-methylmethanamine
SMILESCNCc1ncnn1C(C)(C)C
InChIInChI=1S/C8H16N4/c1-8(2,3)12-7(5-9-4)10-6-11-12/h6,9H,5H2,1-4H3
InChIKeyMTSFTPYWBLHSTQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.75
Rot. Bonds2

About 1-(2-tert-butyl-1,2,4-triazol-3-yl)-N-methylmethanamine

1-(2-tert-butyl-1,2,4-triazol-3-yl)-N-methylmethanamine (PubChem CID 107447431) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-tert-butyl-1,2,4-triazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-1,2,4-triazol-3-yl)-N-methylmethanamine
PubChem CID107447431
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-(2-tert-butyl-1,2,4-triazol-3-yl)-N-methylmethanamine
SMILESCNCc1ncnn1C(C)(C)C
InChIInChI=1S/C8H16N4/c1-8(2,3)12-7(5-9-4)10-6-11-12/h6,9H,5H2,1-4H3
InChIKeyMTSFTPYWBLHSTQ-UHFFFAOYSA-N
XLogP0.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1,2,4-triazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-tert-butyl-1,2,4-triazol-3-yl)-N-methylmethanamine (CID 107447431) is 1-(2-tert-butyl-1,2,4-triazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-tert-butyl-1,2,4-triazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-tert-butyl-1,2,4-triazol-3-yl)-N-methylmethanamine is CNCc1ncnn1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butyl-1,2,4-triazol-3-yl)-N-methylmethanamine?
The InChIKey is MTSFTPYWBLHSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-8(2,3)12-7(5-9-4)10-6-11-12/h6,9H,5H2,1-4H3.
What are the key properties of 1-(2-tert-butyl-1,2,4-triazol-3-yl)-N-methylmethanamine?
1-(2-tert-butyl-1,2,4-triazol-3-yl)-N-methylmethanamine has a molecular weight of 168.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1,2,4-triazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 107447431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).