(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanamine

C8H16N4 — CID 62721086

IUPAC(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1nc(C(C)(C)C)nc1CN
InChIInChI=1S/C8H16N4/c1-8(2,3)7-10-6(5-9)12(4)11-7/h5,9H2,1-4H3
InChIKeyTXWWGUVHOHJEAB-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.57
Rot. Bonds1

About (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanamine

(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 62721086) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanamine
PubChem CID62721086
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1nc(C(C)(C)C)nc1CN
InChIInChI=1S/C8H16N4/c1-8(2,3)7-10-6(5-9)12(4)11-7/h5,9H2,1-4H3
InChIKeyTXWWGUVHOHJEAB-UHFFFAOYSA-N
XLogP0.57
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Methyl-1H-1,2,4-triazol-5-yl)ethan-1-amine
CID 45791132
2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethan-1-amine
CID 6492581
5-Ethyl-1-methyl-1H-1,2,4-triazol-3-amine
CID 12523007
1-methyl-3-(propan-2-yl)-1H-1,2,4-triazol-5-amine
CID 50986546
3-ethyl-1-methyl-1H-1,2,4-triazol-5-amine
CID 12450937
3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)-1-propanamine
CID 28064826
1-[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperazine
CID 54592592
(3-cyclopropyl-1-methyl-1H-1,2,4-triazol-5-yl)methanamine
CID 62720360
(1-tert-butyl-1H-1,2,4-triazol-5-yl)methanamine
CID 112756369
2-[1-methyl-3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]ethan-1-amine dihydrochloride
CID 132300829
3-((tert-butylamino)methyl)-1-methyl-1H-1,2,4-triazol-5-amine dihydrochloride
CID 145909109
[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl](methyl)amine
CID 56828111

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanamine (CID 62721086) is (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanamine is Cn1nc(C(C)(C)C)nc1CN.
What is the InChIKey of (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is TXWWGUVHOHJEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-8(2,3)7-10-6(5-9)12(4)11-7/h5,9H2,1-4H3.
What are the key properties of (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanamine?
(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 168.24 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 62721086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).