1-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine

C8H16N4 — CID 18726584

IUPAC1-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
SMILESCCc1nnc(CN(C)C)n1C
InChIInChI=1S/C8H16N4/c1-5-7-9-10-8(12(7)4)6-11(2)3/h5-6H2,1-4H3
InChIKeyFXUZRMGWEVRQRS-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.44
Rot. Bonds3

About 1-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine

1-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine (PubChem CID 18726584) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
PubChem CID18726584
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
SMILESCCc1nnc(CN(C)C)n1C
InChIInChI=1S/C8H16N4/c1-5-7-9-10-8(12(7)4)6-11(2)3/h5-6H2,1-4H3
InChIKeyFXUZRMGWEVRQRS-UHFFFAOYSA-N
XLogP0.44
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(dimethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 43524624
3-methyl-4-propyl-4H-1,2,4-triazole
CID 53870217
3,4,5-Trimethyl-4H-1,2,4-triazole
CID 573470
1-(4-propyl-4H-1,2,4-triazol-3-yl)methanamine
CID 28063951
(dimethyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride
CID 50988361
1-[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperazine
CID 54592592
3-(dimethyl-4H-1,2,4-triazol-3-yl)propan-1-amine
CID 61353394
3-(dimethyl-4H-1,2,4-triazol-3-yl)propanenitrile
CID 138040228
2-(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 145884645
1-methyl-4-{2-[4-methyl-5-(methylthio)-4H-1,2,4-triazol-3-yl]ethyl}piperazine
CID 6456471
3,4-Dimethyl-5-propan-2-yl-1,2,4-triazole
CID 20597165
(1-ethylpropyl)[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methylamine
CID 50959969

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine (CID 18726584) is 1-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine is CCc1nnc(CN(C)C)n1C.
What is the InChIKey of 1-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine?
The InChIKey is FXUZRMGWEVRQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-5-7-9-10-8(12(7)4)6-11(2)3/h5-6H2,1-4H3.
What are the key properties of 1-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine?
1-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine has a molecular weight of 168.24 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 18726584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).