1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine

C10H17N7 — CID 62449026

IUPAC1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCn2nc(C)nc2C)nn1
InChIInChI=1S/C10H17N7/c1-8-12-9(2)17(14-8)5-4-16-7-10(6-11-3)13-15-16/h7,11H,4-6H2,1-3H3
InChIKeyOCRVRMWOWFIACR-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.09
Rot. Bonds5

About 1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine

1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine (PubChem CID 62449026) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
PubChem CID62449026
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCn2nc(C)nc2C)nn1
InChIInChI=1S/C10H17N7/c1-8-12-9(2)17(14-8)5-4-16-7-10(6-11-3)13-15-16/h7,11H,4-6H2,1-3H3
InChIKeyOCRVRMWOWFIACR-UHFFFAOYSA-N
XLogP-0.09
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 71928249
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 71928525
1-(2-methylpropyl)-N-[(3-methyltriazol-4-yl)methyl]imidazol-2-amine
CID 132375692
(1S)-N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 164632025
(8S)-8-methyl-7-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 164636550
1-(2,2-difluoropropyl)-3-methyl-5-(2-methyl-1H-imidazol-5-yl)-1,2,4-triazole;ethene
CID 144159844
1-(2,2-difluoropropyl)-5-(2-methyl-1H-imidazol-5-yl)-1,2,4-triazole;prop-1-ene
CID 144160024
[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanamine
CID 62053788
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine
CID 66191725
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66192071
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192183
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]ethanamine
CID 66192538

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine (CID 62449026) is 1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine is CNCc1cn(CCn2nc(C)nc2C)nn1.
What is the InChIKey of 1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine?
The InChIKey is OCRVRMWOWFIACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-8-12-9(2)17(14-8)5-4-16-7-10(6-11-3)13-15-16/h7,11H,4-6H2,1-3H3.
What are the key properties of 1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine?
1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine has a molecular weight of 235.29 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62449026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).