5-[(dimethylamino)methyl]-1-methyl-1,2,4-triazol-3-amine

C6H13N5 — CID 83872828

IUPAC5-[(dimethylamino)methyl]-1-methyl-1,2,4-triazol-3-amine
SMILESCN(C)Cc1nc(N)nn1C
InChIInChI=1S/C6H13N5/c1-10(2)4-5-8-6(7)9-11(5)3/h4H2,1-3H3,(H2,7,9)
InChIKeyFAHIKGXJNMCGBV-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.54
Rot. Bonds2

About 5-[(dimethylamino)methyl]-1-methyl-1,2,4-triazol-3-amine

5-[(dimethylamino)methyl]-1-methyl-1,2,4-triazol-3-amine (PubChem CID 83872828) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-methyl-1,2,4-triazol-3-amine
PubChem CID83872828
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name5-[(dimethylamino)methyl]-1-methyl-1,2,4-triazol-3-amine
SMILESCN(C)Cc1nc(N)nn1C
InChIInChI=1S/C6H13N5/c1-10(2)4-5-8-6(7)9-11(5)3/h4H2,1-3H3,(H2,7,9)
InChIKeyFAHIKGXJNMCGBV-UHFFFAOYSA-N
XLogP-0.54
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-aminophenyl)methyl]-1-methyl-1,2,4-triazol-3-amine
CID 84671647
5-chloro-1-methyl-1,2,4-triazol-3-amine
CID 14221624
1-[2-(dimethylamino)ethyl]-5-methyl-1,2,4-triazol-3-amine
CID 79521531
1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine
CID 522820
3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)sulfanyl]propane-1-thiol
CID 582541
5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine
CID 84731228
2-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
CID 70732012
1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride
CID 139931624
5-bromo-1-[1-(dimethylamino)propan-2-yl]-1,2,4-triazol-3-amine
CID 165472120
5-(4-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine
CID 84670791
[2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine
CID 65037741
1,3-dimethyl-4-[[methyl(propyl)amino]methyl]pyrazol-5-amine
CID 62182033

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(dimethylamino)methyl]-1-methyl-1,2,4-triazol-3-amine (CID 83872828) is 5-[(dimethylamino)methyl]-1-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-methyl-1,2,4-triazol-3-amine is CN(C)Cc1nc(N)nn1C.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-methyl-1,2,4-triazol-3-amine?
The InChIKey is FAHIKGXJNMCGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-10(2)4-5-8-6(7)9-11(5)3/h4H2,1-3H3,(H2,7,9).
What are the key properties of 5-[(dimethylamino)methyl]-1-methyl-1,2,4-triazol-3-amine?
5-[(dimethylamino)methyl]-1-methyl-1,2,4-triazol-3-amine has a molecular weight of 155.20 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 83872828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).