2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine

C8H16N4 — CID 59539259

IUPAC2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
SMILESCn1cnc(CNC(C)(C)C)n1
InChIInChI=1S/C8H16N4/c1-8(2,3)10-5-7-9-6-12(4)11-7/h6,10H,5H2,1-4H3
InChIKeySKOYAWIQCCPKJD-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.70
Rot. Bonds2

About 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine

2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine (PubChem CID 59539259) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
PubChem CID59539259
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
SMILESCn1cnc(CNC(C)(C)C)n1
InChIInChI=1S/C8H16N4/c1-8(2,3)10-5-7-9-6-12(4)11-7/h6,10H,5H2,1-4H3
InChIKeySKOYAWIQCCPKJD-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 102672727
1-tert-butyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 103882156
N-[[1-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine
CID 82923949
1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole
CID 103882779
2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 103907086
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 103907015
5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 114125777
2-methyl-N-[(1-pentan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 107888076
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylethanamine
CID 115880292
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104925136
4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile
CID 103884381

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine (CID 59539259) is 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine is Cn1cnc(CNC(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The InChIKey is SKOYAWIQCCPKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-8(2,3)10-5-7-9-6-12(4)11-7/h6,10H,5H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine has a molecular weight of 168.24 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 59539259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).