(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine

C14H19BrN4 — CID 106465277

IUPAC(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine
SMILESCn1nnc(Br)c1C(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H19BrN4/c1-14(2,3)10-7-5-9(6-8-10)11(16)12-13(15)17-18-19(12)4/h5-8,11H,16H2,1-4H3
InChIKeyKUGCASYMBGMWRH-UHFFFAOYSA-N
MW323.24 g/mol
LogP2.92
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine

(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine (PubChem CID 106465277) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine
PubChem CID106465277
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine
SMILESCn1nnc(Br)c1C(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H19BrN4/c1-14(2,3)10-7-5-9(6-8-10)11(16)12-13(15)17-18-19(12)4/h5-8,11H,16H2,1-4H3
InChIKeyKUGCASYMBGMWRH-UHFFFAOYSA-N
XLogP2.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(6-methyl-3-pyridinyl)methanamine
CID 106465360
(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine
CID 106462222
(5-bromo-3-methyltriazol-4-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 106464845
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine
CID 106464783
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine
CID 106464908
1-(5-bromo-3-methyltriazol-4-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
CID 106461840
(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 106464948
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine
CID 106462380
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine
CID 106462732
(5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine
CID 106464957
(5-bromo-3-methyltriazol-4-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106858990
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine
CID 106462182

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine (CID 106465277) is (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine is Cn1nnc(Br)c1C(N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine?
The InChIKey is KUGCASYMBGMWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-14(2,3)10-7-5-9(6-8-10)11(16)12-13(15)17-18-19(12)4/h5-8,11H,16H2,1-4H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine?
(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine has a molecular weight of 323.24 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine is sourced from PubChem (CID 106465277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).