1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine

C8H16N4 — CID 82568991

IUPAC1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine
SMILESCNCc1nc(C(C)(C)C)n[nH]1
InChIInChI=1S/C8H16N4/c1-8(2,3)7-10-6(5-9-4)11-12-7/h9H,5H2,1-4H3,(H,10,11,12)
InChIKeyRBXYJPUTBHICQH-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.82
Rot. Bonds2

About 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine

1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine (PubChem CID 82568991) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine
PubChem CID82568991
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine
SMILESCNCc1nc(C(C)(C)C)n[nH]1
InChIInChI=1S/C8H16N4/c1-8(2,3)7-10-6(5-9-4)11-12-7/h9H,5H2,1-4H3,(H,10,11,12)
InChIKeyRBXYJPUTBHICQH-UHFFFAOYSA-N
XLogP0.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-3-tert-butyl-1H-1,2,4-triazole
CID 163550877
methyl 5-(methylaminomethyl)-1H-1,2,4-triazole-3-carboxylate
CID 105434404
N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 69317898
1-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122017386
N-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]methanamine
CID 82569022
N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine;dihydrochloride
CID 162335175
N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-ethylmorpholine-4-carboxamide
CID 128696158
3-(methylaminomethyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride
CID 135905243
1-(2,6-ditert-butylpyrimidin-4-yl)-N-methylmethanamine
CID 139474972
1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine
CID 82569006
1-[3-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-5-yl]-N-methylmethanamine
CID 82568233
2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butan-1-amine
CID 115431364

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine (CID 82568991) is 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine is CNCc1nc(C(C)(C)C)n[nH]1.
What is the InChIKey of 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine?
The InChIKey is RBXYJPUTBHICQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-8(2,3)7-10-6(5-9-4)11-12-7/h9H,5H2,1-4H3,(H,10,11,12).
What are the key properties of 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine?
1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine has a molecular weight of 168.24 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 82568991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).