5-tert-butyl-3-methyltriazol-4-amine

C7H14N4 — CID 14114324

IUPAC5-tert-butyl-3-methyltriazol-4-amine
SMILESCn1nnc(C(C)(C)C)c1N
InChIInChI=1S/C7H14N4/c1-7(2,3)5-6(8)11(4)10-9-5/h8H2,1-4H3
InChIKeyUMXJLNJUFIATCF-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.69
Rot. Bonds

About 5-tert-butyl-3-methyltriazol-4-amine

5-tert-butyl-3-methyltriazol-4-amine (PubChem CID 14114324) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 5-tert-butyl-3-methyltriazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-3-methyltriazol-4-amine
PubChem CID14114324
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name5-tert-butyl-3-methyltriazol-4-amine
SMILESCn1nnc(C(C)(C)C)c1N
InChIInChI=1S/C7H14N4/c1-7(2,3)5-6(8)11(4)10-9-5/h8H2,1-4H3
InChIKeyUMXJLNJUFIATCF-UHFFFAOYSA-N
XLogP0.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl-1H-1,2,3-triazol-5-amine
CID 20203832
4-Amino-3,5-diethyl-triazole
CID 105428156
5-Tert-butyl-1-(2,2,2-trifluoroethyl)triazol-4-amine
CID 79542190
5-Tert-butyl-1-(2,2-difluoroethyl)triazol-4-amine
CID 79547738
5-Tert-butyl-1-(3,3,3-trifluoropropyl)triazol-4-amine
CID 79548263
1-(2-Fluoroethyl)-5-propan-2-yltriazol-4-amine
CID 80696919
5-Tert-butyl-1-(2-fluoroethyl)triazol-4-amine
CID 80697039
5-Tert-butyl-1-(3-fluoropropyl)triazol-4-amine
CID 81110447
5-Tert-butyl-1-(4,4,4-trifluorobutyl)triazol-4-amine
CID 113327551
3,5-Dimethyltriazol-4-amine;hydrochloride
CID 177801480
5-Ethyl-1-methyl-1H-1,2,3-triazol-4-amine
CID 79536308
Diethyl-1H-1,2,3-triazol-4-amine
CID 79543008

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyltriazol-4-amine?
The IUPAC name of 5-tert-butyl-3-methyltriazol-4-amine (CID 14114324) is 5-tert-butyl-3-methyltriazol-4-amine.
What is the SMILES notation for 5-tert-butyl-3-methyltriazol-4-amine?
The canonical SMILES for 5-tert-butyl-3-methyltriazol-4-amine is Cn1nnc(C(C)(C)C)c1N.
What is the InChIKey of 5-tert-butyl-3-methyltriazol-4-amine?
The InChIKey is UMXJLNJUFIATCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-7(2,3)5-6(8)11(4)10-9-5/h8H2,1-4H3.
What are the key properties of 5-tert-butyl-3-methyltriazol-4-amine?
5-tert-butyl-3-methyltriazol-4-amine has a molecular weight of 154.22 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methyltriazol-4-amine is sourced from PubChem (CID 14114324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).